bluuebunny/crossref_metadata_2025_split huggingface dataset:
Heavy metal transport with adsorption for instantaneous and exponential attenuation of concentration
Authors: Liang Ruishi , Isa Z. M. 
Published: January 2024

AbstractHeavy metal pollutant is a serious problem in environmental pollution, and it is very difficult to eradicate once it enters the soil. As heavy metal adsorption has been proven to occur, the heavy metal’s behaviour can be modeled as a transport equation with adsorption. Previous adsorption term mostly due to the concentration alone, while in here, the desorption effect given by the rate of change of the concentration is also included. Also, the heavy metals are frequently considered to enter the soil after being dumped into the soil for a certain period of time. But, quick dumping onto the soil can introduce heavy metal instantaneously. Heavy metals entering the soil through leaching or when their concentration in the soil is influenced by chemical reactions, can all lead to the exponential decay of heavy metals entering the soil. Based on two-dimensional advection diffusion equation (ADE) with the new adsorption term, analytical solutions are obtained for the cases of instantaneous and exponential attenuation of heavy metals emission to soil by the method of Laplace transform. The results highlight the significant influence of emission type on the peak concentrations. If heavy metals are instantaneously enter the soil, the peak occurs in the range of 1–3 m radius from the point of emission on the first day, while for exponential attenuation the peak occurs close to the point of emission. Furthermore, there exists a correlation between retardation factors and heavy metal concentrations, where a decrease in retardation factors leads to an increase in heavy metal concentration. It is essential to investigate both types of heavy metals emission to provide valuable information for proper pollution management, effective environmental regulations and enforcement.
Chromosomal rearrangements played an important role in the speciation of rice rats of genus Cerradomys (Rodentia, Sigmodontinae, Oryzomyini)
Authors: Oliveira da Silva Willam , Malcher Stella Miranda , Ferguson-Smith Malcolm Andrew , O’Brien Patricia Caroline Mary , Rossi Rogério Vieira , Geise Lena , Pieczarka Julio Cesar , Nagamachi Cleusa Yoshiko 
Published: January 2024

AbstractRodents of the genus Cerradomys belong to tribe Oryzomyini, one of the most diverse and speciose groups in Sigmodontinae (Rodentia, Cricetidae). The speciation process in Cerradomys is associated with chromosomal rearrangements and biogeographic dynamics in South America during the Pleistocene era. As the morphological, molecular and karyotypic aspects of Myomorpha rodents do not evolve at the same rate, we strategically employed karyotypic characters for the construction of chromosomal phylogeny to investigate whether phylogenetic relationships using chromosomal data corroborate the radiation of Cerradomys taxa recovered by molecular phylogeny. Comparative chromosome painting using Hylaeamys megacephalus (HME) whole chromosome probes in C. langguthi (CLA), Cerradomys scotii (CSC), C. subflavus (CSU) and C. vivoi (CVI) shows that karyotypic variability is due to 16 fusion events, 2 fission events, 10 pericentric inversions and 1 centromeric repositioning, plus amplification of constitutive heterochromatin in the short arms of the X chromosomes of CSC and CLA. The chromosomal phylogeny obtained by Maximum Parsimony analysis retrieved Cerradomys as a monophyletic group with 97% support (bootstrap), with CSC as the sister to the other species, followed by a ramification into two clades (69% of branch support), the first comprising CLA and the other branch including CVI and CSU. We integrated the chromosome painting analysis of Eumuroida rodents investigated by HME and Mus musculus (MMU) probes and identified several syntenic blocks shared among representatives of Cricetidae and Muridae. The Cerradomys genus underwent an extensive karyotypic evolutionary process, with multiple rearrangements that shaped extant karyotypes. The chromosomal phylogeny corroborates the phylogenetic relationships proposed by molecular analysis and indicates that karyotypic diversity is associated with species radiation. Three syntenic blocks were identified as part of the ancestral Eumuroida karyotype (AEK): MMU 7/19 (AEK 1), MMU 14 (AEK 10) and MMU 12 (AEK 11). Besides, MMU 5/10 (HME 18/2/24) and MMU 8/13 (HME 22/5/11) should be considered as signatures for Cricetidae, while MMU 5/9/14, 5/7/19, 5 and 8/17 for Sigmodontinae.
High platelet reactivity strongly predicts early stent thrombosis in patients with drug-eluting stent implantation
Authors: Lim Subin , Hong Soon Jun , Kim Ju Hyeon , Cha Jung-Joon , Joo Hyung Joon , Park Jae Hyoung , Yu Cheol Woong , Kim Byeong-Keuk , Chang Kiyuk , Park Yongwhi , Song Young Bin , Ahn Sung Gyun , Suh Jung-Won , Lee Sang Yeub , Cho Jung Rae , Her Ae-Young , Jeong Young-Hoon , Kim Hyo-Soo , Kim Moo Hyun , Shin Eun-Seok , Lim Do-Sun ,   PTRG Investigators, Kim Hyun Kuk , Lee Jung Hee , Lee Byoung Kwon , Kim Weon , Park Kyung Woo , Moon Jae Yeon , Kwon Osung , Kim Chan Joon , Park Hyun-Woong , Lee Chang Hoon , Jang Woo Jin , Jin Han-Young , Chon Min Ku , Choi Ki Hong , Han Dong Hoon , Kang Min Gyu , Kang Jeehoon , Ki You Jeong , Park Jin Sup , Lee Seung-Jun , Lee Seung Hun , Lee Jong-Young , Cho Sung Won , Suh Jon , Bae Jang-Whan , You Seng Chan , Lim Do-Sun , Jeong Myung Ho 
Published: January 2024

AbstractStent thrombosis (ST) is a fatal complication after percutaneous coronary intervention (PCI). The association between P2Y12 reaction unit (PRU) level and stent thrombosis occurrence remains unclear. Based on the multicenter, observational PTRG-DES (Platelet function and genoType-Related long-term proGnosis in DES-treated patients) registry of patients with drug-eluting stents (DES) implantation, a total of 11,714 patients with PRU values were analyzed. We sought to identify the predictors of early stent thrombosis (EST) and compared the primary outcome, a composite of cardiac death, myocardial infarction, and revascularization, between EST and non-EST groups. EST, defined as definite ST within 1 month after index PCI, occurred in 51 patients. PRU values were significantly higher in the EST group (263.5 ± 70.8 vs. 217.5 ± 78.7, p < 0.001). In multivariable analysis, PRU ≥ 252 (OR, 5.10; 95% CI 1.58–16.46; p = 0.006) and aspirin reaction unit ≥ 414 (OR 4.85; 95% CI 1.07–21.97; p = 0.040) were independent predictors of EST. The cumulative incidence of primary composite outcome at one year was significantly higher in the EST group (38.2% vs. 3.9%, Log-rank p < 0.001). In patients treated with clopidogrel after successful DES implantation, EST was associated with higher platelet reactivities, and a greater risk of cardiovascular events.Trial Registration: clinicaltrials.gov Identifier: NCT04734028.
Use of virtual monoenergetic images for reduction of extensive dental implant associated artifacts in photon-counting detector CT
Authors: Layer Yannik C. , Mesropyan Narine , Kupczyk Patrick A. , Luetkens Julian A. , Isaak Alexander , Dell Tatjana , Ernst Benjamin P. , Attenberger Ulrike I. , Kuetting Daniel 
Published: January 2024

AbstractAim of this study was to assess the impact of virtual monoenergetic images (VMI) on dental implant artifacts in photon-counting detector computed tomography (PCD-CT) compared to standard reconstructed polychromatic images (PI). 30 scans with extensive (≥ 5 dental implants) dental implant-associated artifacts were retrospectively analyzed. Scans were acquired during clinical routine on a PCD-CT. VMI were reconstructed for 100–190 keV (10 keV steps) and compared to PI. Artifact extent and assessment of adjacent soft tissue were rated using a 5-point Likert grading scale for qualitative assessment. Quantitative assessment was performed using ROIs in most pronounced hypodense and hyperdense artifacts, artifact-impaired soft tissue, artifact-free fat and muscle tissue. A corrected attenuation was calculated as difference between artifact-impaired tissue and tissue without artifacts. Qualitative assessment of soft palate and cheeks improved for all VMI compared to PI (Median PI: 1 (Range: 1–3) and 1 (1–3); e.g. VMI130 keV 2 (1–5); p < 0.0001 and 2 (1–4); p < 0.0001). In quantitative assessment, VMI130 keV showed best results with a corrected attenuation closest to 0 (PI: 30.48 ± 98.16; VMI130 keV: − 0.55 ± 73.38; p = 0.0026). Overall, photon-counting deducted VMI reduce the extent of dental implant-associated artifacts. VMI of 130 keV showed best results and are recommended to support head and neck CT scans.
Dynamic network link prediction with node representation learning from graph convolutional networks
Authors: Mei Peng , Zhao Yu hong 
Published: January 2024

AbstractDynamic network link prediction is extensively applicable in various scenarios, and it has progressively emerged as a focal point in data mining research. The comprehensive and accurate extraction of node information, as well as a deeper understanding of the temporal evolution pattern, are particularly crucial in the investigation of link prediction in dynamic networks. To address this issue, this paper introduces a node representation learning framework based on Graph Convolutional Networks (GCN), referred to as GCN_MA. This framework effectively combines GCN, Recurrent Neural Networks (RNN), and multi-head attention to achieve comprehensive and accurate representations of node embedding vectors. It aggregates network structural features and node features through GCN and incorporates an RNN with multi-head attention mechanisms to capture the temporal evolution patterns of dynamic networks from both global and local perspectives. Additionally, a node representation algorithm based on the node aggregation effect (NRNAE) is proposed, which synthesizes information including node aggregation and temporal evolution to comprehensively represent the structural characteristics of the network. The effectiveness of the proposed method for link prediction is validated through experiments conducted on six distinct datasets. The experimental outcomes demonstrate that the proposed approach yields satisfactory results in comparison to state-of-the-art baseline methods.
Synthesis, characterization, synergistic inhibition, and biological evaluation of novel Schiff base on 304 stainless steel in acid solution
Authors: Hosny Shimaa , Abdelfatah Aliaa , Gaber Ghalia A. 
Published: January 2024

AbstractA novel Schiff base [4-(morpholin-4-yl) benzylidenyl]thiosemicarbazide (MBT) was created by reaction condensation. The molecules of the products were verified by IR,1HNMR, MS, and elemental techniques. The synergistic effect of KI with novel MBT on 304 stainless steel (SS) in acidic has been investigated experimentally and theoretically using DFT. The findings demonstrate that restriction efficacy on 304 SS improved with rising inhibitor concentrations, and this benefit was attributed to synergy when KI was injected. From EIS results, IE % increased with a higher concentration of MBT only and MBT + KI (from 100 to 600 ppm). MBT maximum IE % was 84.98%, at 600 ppm. MBT + KI, due to the I−ions synergistic effect, showed an IE% of about 95.48%, at 600 ppm. The adsorptions of MBT and MBT + KI on the surfaces of 304 SS are strongly fitted Langmuir adsorption isotherms. Thermodynamic parameters (Kads, ΔG0ads) were utilized. According to polarization findings, MBT behaves as a mixed-category antagonist. The Schiff base MBT was screened for its in vitro antimicrobial activities against some strains of bacteria and fungi. The result revealed that MBT proved to be an excellent candidate as a fungal agent being able to inhibit Aspergillus flavus.
Reduced reverse degree-based topological indices of graphyne and graphdiyne nanoribbons with applications in chemical analysis
Authors: Zaman Shahid , Hakami K. H. , Rasheed Sadaf , Agama Fekadu Tesgera 
Published: January 2024

AbstractGraphyne and Graphdiyne Nanoribbons reveal significant prospective with diverse applications. In electronics, they propose unique electronic properties for high-performance nanoscale devices, while in catalysis, their excellent surface area and reactivity sort them valuable catalyst supports for numerous chemical reactions, contributing to progresses in sustainable energy and environmental remediation. The topological indices (TIs) are numerical invariants that provide important information about the molecular topology of a given molecular graph. These indices are essential in QSAR/QSPR analysis and play a significant role in predicting various physico-chemical characteristics. In this article, we present a formula for computing reduced reverse (RR) degree-based topological indices for graphyne and graphdiyne nanoribbons, including the RR Zagreb indices, RR hyper-Zagreb indices, RR forgotten index, RR atom bond connectivity index, and RR Geometric-arithmetic index. We also execute a graph-theoretical analysis and comparison to demonstrate the critical significance and validate the acquired results. Our findings provide insights into the structural and chemical properties of these nanoribbons and contribute to the development of new materials for various applications.
Enhancing heart disease prediction using a self-attention-based transformer model
Authors: Rahman Atta Ur , Alsenani Yousef , Zafar Adeel , Ullah Kalim , Rabie Khaled , Shongwe Thokozani 
Published: January 2024

AbstractCardiovascular diseases (CVDs) continue to be the leading cause of more than 17 million mortalities worldwide. The early detection of heart failure with high accuracy is crucial for clinical trials and therapy. Patients will be categorized into various types of heart disease based on characteristics like blood pressure, cholesterol levels, heart rate, and other characteristics. With the use of an automatic system, we can provide early diagnoses for those who are prone to heart failure by analyzing their characteristics. In this work, we deploy a novel self-attention-based transformer model, that combines self-attention mechanisms and transformer networks to predict CVD risk. The self-attention layers capture contextual information and generate representations that effectively model complex patterns in the data. Self-attention mechanisms provide interpretability by giving each component of the input sequence a certain amount of attention weight. This includes adjusting the input and output layers, incorporating more layers, and modifying the attention processes to collect relevant information. This also makes it possible for physicians to comprehend which features of the data contributed to the model's predictions. The proposed model is tested on the Cleveland dataset, a benchmark dataset of the University of California Irvine (UCI) machine learning (ML) repository. Comparing the proposed model to several baseline approaches, we achieved the highest accuracy of 96.51%. Furthermore, the outcomes of our experiments demonstrate that the prediction rate of our model is higher than that of other cutting-edge approaches used for heart disease prediction.
Analytical study of integrating downhole thermoelectric power generation with a coaxial borehole heat exchanger in geothermal wells
Authors: Qiao Yong , Shi Kaiyuan , Liu Junrong 
Published: January 2024

AbstractGeothermal power generation employing Organic Rankine Cycle (ORC) technology is a widely acknowledged and conventional approach for harnessing geothermal energy. In an innovative advancement, we propose a novel design integrating downhole thermoelectric power generation with a coaxial borehole heat exchanger. This design aims to enhance the efficiency and sustainability of geothermal energy utilization. In this innovative design, the geothermal well is divided into two distinct sections: a power generation section and a heat exchanging section, achieved through the implementation of a packer positioned from the uppermost part of the targeted zone. The process involves the injection of cold fluid downhole via an insulated pipe. Subsequently, a portion of the injected fluid is directed to flow in reverse within the casing-tubing annulus above the packer, while another portion circulates into the casing-tubing annulus below the packer before ascending through the tubing. This dual flow mechanism establishes distinct cold and hot sources for the thermoelectric generator, a key feature facilitated by this innovative design. Analytical models detailing of downhole temperature distribution for thermoelectric power have been meticulously developed. A comprehensive case study, focusing on a geothermal well with 3000 m length of power generation section and 500 m heat exchanging section, has been conducted. The results indicate that a significant generating capacity could be achieved with a higher wellhead temperature, and the payback period under different carbon tax scenarios is about 6–8 year. Furthermore, the effects of injection rate, fluid diversion ratio, and casing-tubing configuration on power performance and thermal-electricity efficiency are also discussed. This method not only enables the concurrent harvesting of geothermal energy and power generation but also operates consistently throughout the year. The results thus emphasize the viability and economic feasibility of the proposed approach.
Tuning the viscoelastic properties of peptide coacervates by single amino acid mutations and salt kosmotropicity
Authors: Wu Xi , Sun Yue , Yu Jing , Miserez Ali 
Published: January 2024

AbstractCoacervation, or liquid-liquid phase separation (LLPS) of biomacromolecules, is increasingly recognized to play an important role both intracellularly and in the extracellular space. Central questions that remain to be addressed are the links between the material properties of coacervates (condensates) and both the primary and the secondary structures of their constitutive building blocks. Short LLPS-prone peptides, such as GY23 variants explored in this study, are ideal model systems to investigate these links because simple sequence modifications and the chemical environment strongly affect the viscoelastic properties of coacervates. Herein, a systematic investigation of the structure/property relationships of peptide coacervates was conducted using GY23 variants, combining biophysical characterization (plate rheology and surface force apparatus, SFA) with secondary structure investigations by infrared (IR) and circular dichroism (CD) spectroscopy. Mutating specific residues into either more hydrophobic or more hydrophilic residues strongly regulates the viscoelastic properties of GY23 coacervates. Furthermore, the ionic strength and kosmotropic characteristics (Hofmeister series) of the buffer in which LLPS is induced also significantly impact the properties of formed coacervates. Structural investigations by CD and IR indicate a direct correlation between variations in properties induced by endogenous (peptide sequence) or exogenous (ionic strength, kosmotropic characteristics, aging) factors and the β-sheet content within coacervates. These findings provide valuable insights to rationally design short peptide coacervates with programmable materials properties that are increasingly used in biomedical applications.
Somatic mouse models of gastric cancer reveal genotype-specific features of metastatic disease
Authors: Leibold Josef , Tsanov Kaloyan M. , Amor Corina , Ho Yu-Jui , Sánchez-Rivera Francisco J. , Feucht Judith , Baslan Timour , Chen Hsuan-An , Tian Sha , Simon Janelle , Wuest Alexandra , Wilkinson John E. , Lowe Scott W. 
Published: January 2024

AbstractMetastatic gastric carcinoma is a highly lethal cancer that responds poorly to conventional and molecularly targeted therapies. Despite its clinical relevance, the mechanisms underlying the behavior and therapeutic response of this disease are poorly understood owing, in part, to a paucity of tractable models. Here we developed methods to somatically introduce different oncogenic lesions directly into the murine gastric epithelium. Genotypic configurations observed in patients produced metastatic gastric cancers that recapitulated the histological, molecular and clinical features of all nonviral molecular subtypes of the human disease. Applying this platform to both wild-type and immunodeficient mice revealed previously unappreciated links between the genotype, organotropism and immune surveillance of metastatic cells, which produced distinct patterns of metastasis that were mirrored in patients. Our results establish a highly portable platform for generating autochthonous cancer models with flexible genotypes and host backgrounds, which can unravel mechanisms of gastric tumorigenesis or test new therapeutic concepts.
Investigation of nonlinear optical properties in α-A2BB′O6 (A = Li, Na, K; B = Ti, Zr, Hf; B′ = Se, Te) by first-principles calculations
Authors: Fang Gaojing , Teng Xiaojun , Yan Luo , Wu Yu , Xue Kui , Zhang Xiaofeng , Ding Yi-min , Zhou Liujiang , Wen Qiye 
Published: January 2024

The electronic and nonlinear optical properties of A2BB′O6 materials are studied comprehensively, where the SHG coefficient is directly proportional to the value of total dipole moment and distortion, and inversely proportional to the bandgap.
The effects of chlorotriﬂuoroethylene (CTFE) units on the dielectric and energy storage properties of P(VDF‐CTFE)
Authors: Xie Haoran , Yuan Xi , Luo Hang , Zhang Dou 
Published: January 2024

AbstractPolyvinylidene fluoride‐based ferroelectric polymers are favoured in the field of advanced high‐energy‐storage dielectric capacitors due to their strong spontaneous polarisation and high dielectric constant (εr). It has been confirmed that the ferroelectric behaviour and energy storage performance can be regulated by copolymerising polyvinylidene fluoride with bulky monomers such as chlorotriﬂuoroethylene, and hexaﬂuoropropylene. Past research based on these copolymers mostly focused on the preparation of composites, yet with limited discussion on the effect of copolymer composition. In this work, a series of P(VDF‐CTFE) films with different chlorotriﬂuoroethylene contents were fabricated through a solution‐casting method. The introduction of bulky chlorotriﬂuoroethylene units can tune the polymer crystal structure and crystallinity, alter the state of polymer chains and the response of dipoles to electric fields, and lead to dramatic changes in dielectric properties, breakdown strength (Eb), and energy storage density (Ue). As a result, the copolymer with a chlorotriﬂuoroethylene content of 15 wt% obtained the best overall performance, and the Ue reached 16.73 J/cm3 at 650 kV/mm. This work provides a basis for the optimisation of the properties of polyvinylidene fluoride‐based ferroelectric polymers and the development of high Ue dielectric.