bluuebunny/crossref_metadata_2025 huggingface dataset:
Luminescent Water-Dispersible Nanoparticles Engineered from Copper(I) Halide Cluster Core and P,N-Ligand with an Optimal Balance between Stability and ROS Generation
Authors: Faizullin Bulat A. , Elistratova Julia G. , Strelnik Igor D. , Akhmadgaleev Kamil D. , Gubaidullin Aidar T. , Kholin Kirill V. , Nizameev Irek R. , Babaev Vasily M. , Amerhanova Syumbelya K. , Voloshina Alexandra D. , Gerasimova Tatiana P. , Karasik Andrey A. , Sinyashin Oleg G. , Mustafina Asiya R.
Published: March 2023

The present work introduces the solvent exchange procedure as a route for conversion of the Cu4I4L2 complex, where the Cu4I4 cluster core is coordinated with two P,N-ligands (L), into an aqueous colloid. The analysis of both colloidal and supernatant phases revealed some losses in CuI going from the initial Cu4I4L2 complex to Cu2I2L3-based nanoparticles. The comparative analysis of IR, 31P NMR spectroscopy, ESI mass-spectrometry and luminescence data argued for a contribution of the “butterfly”-like structures of the Cu2I2 cluster core to Cu2I2L3-based nanoparticles, although the amorphous nature of the latter restricted structure evaluation from the PXRD data. The green luminescence of the colloids revealed their chemical stability under pH variations in the solutions of some amino acids and peptides, and to specify the temperature and concentration conditions triggering the oxidative degradation of the nanoparticles. The spin trap-facilitated ESR study indicated that the oxidative transformations were followed by the generation of reactive oxygen species (ROS). The physiological temperature level (310 K) enhanced the ROS generation by nanoparticles, but the ROS level was suppressed in the solution of GSH at pH = 7.0. The cytotoxicity of nanoparticles was evaluated in the M-HeLa cell line and is discussed in correlation with their cell internalization and intracellular oxidative transformations.
Prostate Volume Influence on Postoperative Outcomes for Patients Undergoing RARP: A Monocentric Serial Analysis of 500 Cases
Authors: Farzat Mahmoud , Rosenbauer Josef , Tanislav Christian , Wagenlehner Florian M.
Published: March 2023

Elevated prostate volume is considered to negatively influence postoperative outcomes after robot-assisted radical prostatectomy (RARP). We aim to investigate the influence of prostate volume on readmissions and complications after RARP. Methods: A total of 500 consecutive patients who underwent RARP between April 2019 and August 2022 were included. Patients were dichotomized into two groups using a prostate volume cut-off of 50 mL (small and normal prostate (SNP) n = 314, 62.8%; large prostate n = 186, 37.2%). Demographic, baseline, and perioperative data were analyzed. The postoperative complications and readmission rates within 90 days after RARP were compared between groups. A univariate linear analysis was performed to investigate the association between prostate volume and other relevant outcomes. Results: Patients with larger prostates had a higher IPSS score, and therefore, more relevant LUTS at the baseline. They had higher ASA scores (p = 0.015). They also had more catheter days (mean 6.6 days for SNP vs. 7.5 days for LP) (p = 0.041). All oncological outcomes were similar between the groups. Although statistical analysis showed no significant difference between the groups (p = 0.062), a trend for minor complications in patients with larger prostates, n = 37/186 (19.8%) for the LP group vs. n = 37/314 (11.7%) in the SNP group, was observed. Namely, acute urinary retention and secondary anastomosis insufficiency. Major complications with an SNP (4.4%) and LP (3.7%) (p = 0.708) and readmissions with an SNP (6.25%) and LP (4.2%) (p = 0.814) were infrequent and distributed equally between the groups. In univariate analysis, prostate volume could solely predict a longer console time (p = 0.005). Conclusions: A higher prostate volume appears to have minimal influence on the perioperative course after RARP. It can prolong catheter days and increase the incidence of minor complications such as acute urinary retention. However, it might predict minor changes in operating time. Yet, prostate volume has less influence on major complications, readmissions, or oncological results.
Description of a Retrospective Cohort of Epithelial Ovarian Cancer Patients with Brain Metastases: Evaluation of the Role of PARP Inhibitors in this Setting
Authors: Alizzi Zena , Roxburgh Patricia , Cartwright Douglas , McLaren Alistair , Park Sarah , Jones Rachel , Greening Semini , Hudson Emma , Green Clare , Gray Simon , Khalique Saira , Karteris Emmanouil , Hall Marcia
Published: March 2023

Background: The incidence of brain metastases (BM) in patients with epithelial ovarian cancer (EOC) is low: 0.3–11%. The onset of BM has been regarded as a late event with limited treatment options and poor prognosis. This retrospective case series aims to explore the current management strategies with particular emphasis on the use of PARP inhibitors and outcomes, as well as identification of other prognostic indicators. Methods: A total of 39 ovarian cancer patients with brain metastases were identified from eight cancer centres in the UK. Clinical characteristics, details of management, and survival data were collected. Results: A total of 14/39 had BM as their first site of relapse. The majority (29 patients) received systemic treatments in addition to local radiotherapy (RT)/surgery. Nineteen patients had BRCA mutations (one somatic), one had a RAD51C mutation, and eighteen were BRCA wild type; one was unknown. A total of 14/39 patients received maintenance PARP inhibitors. As is well known, patients who received PARPi had consistently better outcomes. This was no different for those who received PARPi as part of the management of their BM. Platinum sensitivity and receiving more than one modality of therapy (e.g., radiation +/− chemotherapy and PARPi) for BM were also good prognostic indicators. Median PFS/OS for those treated with chemotherapy and either RT or surgery, then PARP inhibitor maintenance, have not been reached after a median of 33 months follow up. Conclusions: As with abdominal relapse, maintenance treatment with PARP inhibitors also has a valuable role in managing BMs in EOC patients.
Therapy and Outcome of Prolonged Veno-Venous ECMO Therapy of Critically Ill ARDS Patients
Authors: Flinspach Armin N. , Raimann Florian J. , Bauer Frederike , Zacharowski Kai , Ippolito Angelo , Booke Hendrik
Published: March 2023

Veno-venous Extracorporeal Membrane Oxygenation (VV-ECMO) therapy has become increasingly used and established in many hospitals as a routine treatment. With ECMO-therapy being a resource-demanding procedure, it is of interest whether a more prolonged VV-ECMO treatment would hold sufficient therapeutic success. Our retrospective study included all VV-ECMO runs from 1 January 2020 to 31 June 2022. We divided all runs into four groups (<14 days, 14–27, 28–49, 50+) of different durations and looked for differences overall in hospital survival. Additionally, corresponding treatments and therapeutic modalities, as well as laboratory results, were analyzed. We included 117 patients. Of those, 97 (82.9%) received a VV-ECMO treatment longer than two weeks. We did not find a significant association between ECMO duration (p = 0.15) and increased mortality though a significant correlation between the patients’ age and their probability of survival (p = 0.02). Notably, we found significantly lower interleukin-6 levels with an increase in therapy duration (p < 0.01). Our findings show no association between the duration of ECMO therapy and mortality. Thus, the treatment duration alone may not be used for making assumptions about the prospect of survival. However, attention is also increasingly focused on long-term outcomes, such as post-intensive care syndrome with severe impairments.
Delta Neutrophil Index as a New Early Mortality Predictor after Liver Transplantation
Authors: Lee Jeongjun , Son Sunyoung , Kim Heeyoung , Ju Manki
Published: March 2023

Background: Patients with liver disease display numerous defects of the immune system, so infection is a frequent complication of both acute and chronic liver disease. These infections are independently associated with poor outcomes after liver transplantation. Our objective was to evaluate the delta neutrophil index (DNI), a new inflammation marker, as a predictor of survival after liver transplantation (LT). Methods: This observational study retrospectively evaluated the records of 712 patients who underwent LT from January 2010 to February 2018. DNI was evaluated at pre-transplantation and 1, 7, 14, and 30 days after operation. Statistical analysis was performed using the T-test or chi-square test, and logistic regression analysis. Results: The mean MELD score was 16.7 ± 9.4 (0–48). There were 125 mortality cases (17.8%) after liver transplantation. Mean DNI was 1.61 at pre-transplantation, 3.94 one day after operation, 2.67 seven days after operation, 1.61 fourteen days after operation, and 1.64 thirty days after operation, respectively. In multivariate analysis, DNI seven and fourteen days after operation was revealed as an independent prognostic factor for mortality after liver transplantation (p = 0.040 and p < 0.0001). Conclusions: The DNI is a simple and reliable predictor of patient mortality after liver transplantation.
Outcome of Conservative Therapy of Adolescent Idiopathic Scoliosis (AIS) with Chêneau-Brace
Authors: Pepke Wojciech , Morani William , Schiltenwolf Marcus , Bruckner Tom , Renkawitz Tobias , Hemmer Stefan , Akbar Michael
Published: March 2023

Chêneau-brace (C-Brace) is a potential tool for the treatment of adolescent idiopathic scoliosis (AIS) with a Cobb angle between 20° and 45° for the primary curve. The aim of the present study was (1) to estimate study cohorts with C-brace therapy success and therapy failure and (2) to analyze possible factors that influence the therapy outcome. Seventy-eight patients with AIS were assessed before the initiation of C-brace treatment. Each patient underwent radiography examinations before the brace, in-brace, and at the therapy end. Cobb angle was considered as increased when the value at the end of therapy was increased more than 5° (Δ > 5°), unchanged—when the value was unchanged within ± 5° and decreased- when the value was decreased more than 5° (Δ < −5°). The study cohort was stratified due to curve topography in the thoracic, thoracolumbar, and lumbar scoliosis groups. Global analysis revealed no statistically significant modification of the Cobb angle (Cobb angle pre-brace vs. Cobb angle post-brace: 30.8° ± 8.2 vs. 29.3° ± 15.2, p = 0.26). However, at the end of C-brace therapy, the primary Cobb angle was decreased by more than 5° in 27 patients (35%), unchanged (Δ within the range of ±5°) in 36 patients (46%), and increased more than 5° in 15 patients (19%). Sub-group analysis due to curve topography and skeletal maturity has shown higher rates of brace therapy failure in thoracic curves and in younger patients (Risser grade 0). Patients with higher Cobb angle correction with C-brace had lower rates of therapy failure. The C-brace can be useful for the prevention of scoliotic curve progression in patients with AIS. However, many factors influence the therapy effect.
Epidemiological Study of Autism Spectrum Disorders in Greece for 2021: Nationwide Prevalence in 2–17-Year-Old Children and Regional Disparities
Authors: Kouznetsov Raissa , Angelopoulos Panagiotis , Moulinos Spyridon , Dimakos Ioannis , Gourzis Philippos , Jelastopulu Eleni
Published: March 2023

This study estimated the crude prevalence of autism spectrum disorders (ASD) in Greece in 2021. A retrospective study was conducted for 2021 using data provided for research purposes for the first time by the Greek National Health Service Organization for Healthcare Services Provision (EOPYY) related to the ICD-10 diagnosis codes F84.0–F84.9 (ASD). Treatments were categorized by gender, age, and location. Statistical analysis was performed using the open-source software R. In total, 15,706 children aged 2–17 years were registered with ASD: 12,380 boys and 3326 girls. In total, 6,117,910 therapies were prescribed: 4,844,173 for boys and 1,273,737 for girls. Boys are estimated to be diagnosed 3.5 times more often than girls. On average, approximately 390 treatments are prescribed per person per year for both sexes. The annual prevalence is estimated at 0.94%, ranging from 0.42% to 1.44% depending on geographic region. Our findings provide evidence-based data for the planning of policies regarding health, education, and employment for people with ASD. The number of children and treatments makes ASD a public health concern to support children and their families and ensure equal participation in all aspects of society.
Potential Relationships between the Median Nerve Cross-Sectional Area and Physical Characteristics in Unilateral Symptomatic Carpal Tunnel Syndrome Patients
Authors: Ikumi Akira , Yoshii Yuichi , Kudo Takamasa , Kohyama Sho , Ogawa Takeshi , Hara Yuki , Ishii Tomoo
Published: March 2023

Background: The present study investigated the relationships between the median nerve cross-sectional area (CSA) and physical characteristics in patients with unilateral symptomatic carpal tunnel syndrome (CTS). Methods: Height, weight, body mass index (BMI), disease duration, results of electrodiagnostic testing (EDX), and median nerve CSA at the level of the wrist crease were recorded in 81 patients with CTS who presented with symptoms on only one side. Correlation coefficients between median nerve CSA and physical characteristics, disease duration, and results of EDX were analyzed. Results: Median nerve CSA at the wrist crease (mm2) was significantly larger on the symptomatic side (14.1 ± 3.8) than on the asymptomatic side (11.5 ± 2.9). Median nerve CSA correlated with body weight (correlation coefficient = 0.39) and BMI (correlation coefficient = 0.44) on the asymptomatic side, but not on the symptomatic side. These correlations were slightly stronger in females (correlation coefficient = 0.46) than in males (correlation coefficient = 0.40). No correlations between median nerve CSA and disease duration and the results of EDX were observed in both sides. Conclusions: In patients with unilateral symptomatic CTS, median nerve CSA correlated with BMI only on the asymptomatic side. The present results suggest that the relationship between median nerve CSA and BMI in CTS is significant until symptom onset but may be masked by edema and pseudoneuroma after its onset. A higher BMI is associated with a larger CSA of the median nerve, which may be a risk factor for the development of CTS.
Development and Validation of a Prognostic Model for Overall Survival in Patients with Primary Pelvis and Spine Osteosarcoma: A Population-Based Study and External Validation
Authors: Wang Da , Liu Fanrong , Li Binbin , Xu Jinhui , Gong Haiyi , Yang Minglei , Wan Wei , Jiao Jian , Liu Yujie , Xiao Jianru
Published: March 2023

Background: Primary pelvis and spine osteosarcoma (PSOS) is a specific type of osteosarcoma that is difficult to treat and has a poor prognosis. In recent years, the research on osteosarcoma has been increasing, but there have been few studies on PSOS; in particular, there have been a lack of analyses with a large sample size. This study aimed to construct and validate a model to predict the overall survival (OS) of PSOS patients, as currently there are no tools available for assessing their prognosis. Methods: Data including demographic information, clinical characteristics, and follow-up information on patients with PSOS were collected from the Surveillance, Epidemiology, and End Results (SEER) database, as well as from the Spine Tumor Center of Changzheng Hospital. Variable selection was achieved through a backward procedure based on the Akaike Information Criterion (AIC). Prognostic factors were identified by univariate and multivariate Cox analysis. A nomogram was further constructed for the estimation of 1-, 3-, and 5-year OS. Calibration plots, the concordance index (C-index), and the receiver operating characteristic (ROC) were used to evaluate the prediction model. Results: In total, 83 PSOS patients and 90 PSOS patients were separately collected from the SEER database and Changzheng Hospital. In the SEER cohort, liver metastasis, lung metastasis, and chemotherapy were recognized as independent prognostic factors for OS (p < 0.05) and were incorporated to construct the initial nomogram. However, the initial nomogram showed poor predictive accuracy in internal and external validation. Then, we shifted our focus to the Changzheng data. Lung metastasis involving segments, Eastern Cooperative Oncology Group (ECOG) performance score, alkaline phosphatase (ALP) level, and en bloc resection were ultimately identified as independent prognostic factors for OS (p < 0.05) and were further incorporated to construct the current nomogram, of which the bias-corrected C-index was 0.834 (0.824–0.856). The areas under the ROC curves (AUCs) of the current nomogram regarding 1-, 3-, and 5-year OS probabilities were 0.93, 0.96, and 0.92, respectively. Conclusion: We have developed a predictive model with satisfactory performance and clinical practicability, enabling effective prediction of the OS of PSOS patients and aiding clinicians in decision-making.
Clinical Utility of Three-Dimensional Echocardiography in the Evaluation of Mitral Valve Disease: Tips and Tricks
Authors: Pino Paolo G. , Madeo Andrea , Lucà Fabiana , Ceravolo Roberto , di Fusco Stefania Angela , Benedetto Francesco Antonio , Bisignani Giovanni , Oliva Fabrizio , Colivicchi Furio , Gulizia Michele Massimo , Gelsomino Sandro
Published: March 2023

Although real-time 3D echocardiography (RT3DE) has only been introduced in the last decades, its use still needs to be improved since it is a time-consuming and operator-dependent technique and acquiring a good quality data can be difficult. Moreover, the additive value of this important diagnostic tool still needs to be wholly appreciated in clinical practice. This review aims at explaining how, why, and when performing RT3DE is useful in clinical practice.
Effect of Al2O3 and SiC Nano-Fillers on the Mechanical Properties of Carbon Fiber-Reinforced Epoxy Hybrid Composites
Authors: Shahabaz S.M. , Mehrotra Prakhar , Kalita Hridayneel , Sharma Sathyashankara , Naik Nithesh , Noronha Dilifa Jossley , Shetty Nagaraja
Published: March 2023

Polymeric nanocomposites are an emerging research topic, as they improve fiber-reinforced composites’ thermo-mechanical and tribological properties. Nanomaterials improve electrical and thermal conductivity and provide excellent wear and friction resistance to the polymer matrix material. In this research work, a systematic study was carried out to examine the tensile and hardness properties of a carbon fiber epoxy composite comprising nano-sized Al2O3 and SiC fillers. The study confirms that adding nano-fillers produces superior tensile and hardness properties for carbon fiber-reinforced polymer composites. The amount of filler loading ranged from 1, 1.5, 1.75, and 2% by weight of the resin for Al2O3 and 1, 1.25, 1.5, and 2% for SiC fillers. The maximum tensile strength gain of 29.54% and modulus gain of 2.42% were noted for Al2O3 filled composite at 1.75 wt.% filler loading. Likewise, enhanced strength gain of 25.75% and 1.17% in modulus gain was obtained for SiC-filled composite at 1.25 wt.% filler loading, respectively. The hardness property of nano-filled composites improved with a hardness number of 47 for nano-Al2O3 and 43 for nano-SiC, respectively, at the same filler loading.
The Activity of Substance P (SP) on the Corneal Epithelium
Authors: Kopel Jonathan , Keshvani Caezaan , Mitchell Kelly , Reid Ted
Published: March 2023

In 1931, Von Euler and Gaddum isolated substance P (SP), an undecapeptide from the tachykinin family, from equine brain and intestine tissue extracts. Numerous types of cells, including neurons, astrocytes, microglia, epithelial, and endothelial cells, as well as immune cells including T-cells, dendritic cells, and eosinophils, are responsible for its production. The corneal epithelium, immune cells, keratocytes, and neurons all express the two isoforms of NK1R, which has the highest affinity for SP. The most recent research supports SP’s contribution to corneal healing by encouraging epithelial cell migration and proliferation. Additionally, when applied to the eyes, SP has proinflammatory effects that result in miosis, intraocular inflammation, and conjunctival hyperemia. In this review article, we examine the role of substance P within the eye. We focus on the role of SP with regards to maintenance and healing of the corneal epithelium.
Evaluation of a Bioabsorbable Scaffold and Interlocked Nail System for Segmental Bone Defect
Authors: Khandaker Morshed , Lane Reuben , Yeakley Shannon , Alizereej Hussein , Nikfarjam Sadegh , Ait Moussa Abdellah , Vaughan Melville B. , Haleem Amgad M.
Published: March 2023

In the current study, we designed and manufactured a scaffold and fixation system for the reconstruction of long-bone segmental defects in a rabbit tibia model. We used biocompatible and biodegradable materials, polycaprolactone (PCL) and PCL soaked with sodium alginate (PCL-Alg) to manufacture the scaffold, interlocking nail and screws using a phase separation casing method. Degradation and mechanical tests on the PCL and PCL-Alg scaffolds indicated that both were suitable for faster degradation and early weight-bearing capacity. PCL scaffold surface porosity facilitated the infiltration of alginate hydrogel through the scaffold. Cell viability results showed that the number of cells increased on Day 7 and decreased marginally by Day 14. For accurate placement of the scaffold and fixation system, a surgical jig was designed and 3D-printed using biocompatible resin in a stereolithography (SLA) 3D printer, then cured with UV light for increased strength. Our cadaver tests using New Zealand White rabbit confirmed our novel jigs’ potential for accurate placement of the bone scaffold, intramedullary nail and the alignment of the fixation screws in future reconstructive surgeries on rabbit long-bone segmental defects. Additionally, the cadaver tests confirmed that our designed nails and screws were strong enough to carry the surgical insertion force. Therefore, our designed prototype has the potential for further clinical translational study using the rabbit tibia model.
Assessing Land-Use Conflict Potential and Its Correlation with LULC Based on the Perspective of Multi-Functionality and Landscape Complexity: The Case of Chengdu, China
Authors: Chen Jiao , Zhang Liwei , Zhao Shan , Zong Hua
Published: March 2023

The rapid development of megacities has greatly impacted land use in the urban–rural fringe area. The Western Protected Area defined by Chengdu’s Master Plan (2016–2035) to end the unrestrained urban sprawl, where locates the most superior agricultural and ecological resources, namely Mount Qingcheng and the Dujiangyan Essence Irrigation District, is facing great challenges when implementing protective strategies, related to huge land use competition caused by land multi-functionality. To better assess and understand land-use conflict and its influence, this paper constructs a comprehensive evaluation model with ‘multi-functionality and landscape complexity’ based on existing research, with a 1 km × 1 km spatial resolution, and analyzes its relationship with land-use and land-cover (LULC) change, based on 30 m land resolution data from 2000, 2010, and 2020, produced by the Institute of Resource and Environmental Science and the Data Center of the Chinese Academy of Sciences. Overall, two kinds of land-use conflict concerning function suitability and landscape pattern co-emerge spatially, but there also exist “high-low” combinations. The result shows that land consolidation or the adjustment of land use might take place more often when both the suitability conflict and the landscape conflict reach a certain threshold. The results provide enlightenment for further expanding the quantitative research on land-use conflict and confirm the potential of applying the land-use conflict index in delineating territorial spatial planning control areas.
Construction and Optimization of Ecological Network Based on Landscape Ecological Risk Assessment: A Case Study in Jinan
Authors: Wang Xvlu , Sun Yingjun , Liu Qinghao , Zhang Liguo
Published: March 2023

Due to the rapid development of urbanization, land-use types have changed greatly, which has led to many ecological problems. Therefore, the current research objective is to solve the problems in existence in Jinan, so as to determine the existing landscape ecological risks and optimize the landscape structure. Using 2 m high-resolution remote sensing images and related natural economic data, this study evaluated the landscape ecological risk and constructed a full-factor ecological network in Jinan with a landscape ecological risk assessment method (ERI) and a minimum cumulative resistance model (MCR) based on landscape ecology theory. The results showed that: (1) The ERI in Jinan presented a spatial concentration of high value areas in the central and central–eastern regions, while other levels in ERI areas presented a spatial distribution around the ecological regions with high risk. (2) The important corridors were mainly distributed in the south of Jinan, which were stable and not easily destroyed. The corridors in other areas were secondary, mainly passing through cultivated land and urban greenways, which were unstable and susceptible to interference.
Research on the Slope Gradient Effect and Driving Factors of Construction Land in Urban Agglomerations in the Upper Yellow River: A Case Study of the Lanzhou–Xining Urban Agglomerations
Authors: Zhang Hanxuan , Zhao Xiangjuan , Ren Jun , Hai Wenjing , Guo Jing , Li Chengying , Gao Yapei
Published: March 2023

Analyses of the scale and structural characteristics of construction land serve as the basis for optimizing the spatial pattern of territorial planning. Existing studies have focused mainly on the horizontal expansion of urban construction land. Therefore, based on the Google Earth Engine (GEE) platform, in this paper, we use high-precision land-use cover data, DEM data and socioeconomic data to construct the standard dominant comparative advantage index (NRCA) using the geological mapping analysis method and we systematically analyze the horizontal scale, slope spectrum characteristics, gradient effects and driving factors of construction land in the Lanzhou–Xining urban agglomeration (LXUA) from 1990 to 2020 at four scales: the urban agglomeration, provincial area, typical city and county (district) scales. The results of the study show that urban construction land, rural settlement land and other construction land in the LXUA show “linear”, inverted-“U” and “J” growth patterns, respectively. Three types of construction land show different spatial transfer characteristics. The scale and extent of climbing of urban construction land in the LXUA is gradually decreasing over time, and the number of climbing rural settlement lands in 2000–2010 was as high as 34 counties (districts), while the number of counties (districts) with strong climbing degrees of other construction land rose to 12 from 2010 to 2020. The relative hotspots of the slope-climbing phenomenon of the three types of construction land have gradually expanded spatially, with Lanzhou city and Xining city as the center, and the overall spatial characteristics are “more in the east and less in the west”. The population and GDP are the main factors influencing the slope-climbing phenomenon of urban construction land, while rural settlements are influenced mainly by natural conditions, and accessibility is the key factor affecting other construction land.
Management of U.S. Agricultural Lands Differentially Affects Avian Habitat Connectivity
Authors: Suraci Justin P. , Mozelewski Tina G. , Littlefield Caitlin E. , Nogeire McRae Theresa , Sorensen Ann , Dickson Brett G.
Published: March 2023

Despite frequently being implicated in species declines, agricultural lands may nonetheless play an important role in connecting wildlife populations by serving as movement corridors or stopover sites between areas of high-quality habitat. For many North American bird species, agricultural intensification over the past half century has substantially impacted populations, yet recent studies have noted the potential for supporting avian biodiversity on agricultural lands through the promotion of functional connectivity. To support avian conservation efforts on agricultural lands across the United States, we used publicly available data from eBird to quantify and map the effects of agriculture on habitat suitability (using random forest models) and functional connectivity (via circuit theory) for three focal species that have experienced agriculture-linked declines or range contractions in recent decades: Greater Sage-grouse (Centrocercus urophasianus), American Black Duck (Anas rubripes), and Bobolink (Dolichonyx oryzivorus). Our analysis drew on novel, remotely sensed estimates of agricultural management intensity to quantify the effects of management practices on avian habitat and movement, revealing complex, species-specific relationships between agriculture and habitat value for the three focal species. Rangelands and croplands exhibited relatively high connectivity values for Greater Sage-grouse and Bobolink, respectively, mirroring these species’ strong habitat preferences for open sagebrush and cultivated grasslands. By contrast, American Black Duck migratory connectivity was low on all agricultural cover types. Mapping our model results across each species’ geographic range in the U.S. revealed key areas for agricultural management action to preserve high-quality habitat and connectivity, and we link these spatial recommendations to government incentive programs that can be used to increase wildlife-friendly management on U.S. agricultural lands.
S/Se-Terchalcogenophene-C60 Dyads: Synthesis and Characterization of Optical and Photosensitizing Properties
Authors: Motyka Radosław , Nastula Klaudia , Pander Piotr , Honisz Damian , Tomczyk Mateusz , Erfurt Karol , Blacha-Grzechnik Agata
Published: March 2023

Fullerenes have been long investigated for application as singlet oxygen sources. Even though they possess high photosensitizing efficiency, their practical use is still limited, mostly because of insufficient absorption of visible and/or near-infrared light. This limitation can be overcome by introducing organic chromophores that absorb longer-wavelength light, either by covalent attachment to C60 or by its encapsulation in a polymeric matrix. In this work, we investigated the photosensitizing properties of the C60 molecule functionalized with organic units comprising thiophene or selenophene rings. The chemical structures of the synthesized dyads were characterized by nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. The influence of the S/Se atoms and vinyl linkage between the organic unit and C60 on the absorptive and emissive properties of the dyads was investigated and correlated with their photosensitizing activity. For the latter, we used a standard chemical singlet oxygen trap. A selected dyad C60ThSe2 was also applied as a source of singlet oxygen in a model photocatalyzed synthesis of the fine chemical juglone from 1,5-dihydroxynapthalene.
Study on Pelletizing Process of Spherical Activated Carbon Based on Molten Pitch
Authors: Wang Yaosen , Qiu Hongsheng , Ayasrah Mo’men
Published: March 2023

In the process of preparing asphalt-based spherical activated carbon, the molten asphalt must be formed into qualified spherical particles through the granulation process. Taking the process of molten asphalt granulation as the research direction, this paper carries out an asphalt rotational viscosity experiment and a thermogravimetric differential thermal experiment (TG–DSC), and obtains the optimal temperature and viscosity values for the asphalt granulation process. The fluent module in ANSYS software is used to input the known asphalt and prilling tower parameters. Based on the asphalt prilling principle, the thermal environment in the prilling tower during on-site melting and asphalt prilling is simulated. The results show that No. 70 matrix asphalt has good fluidity at 135 °C, and that, subsequently, the viscosity of the asphalt is stable and the fluidity of asphalt remains good with the increase in temperature; they also showed that the air velocity is fastest in the central area of the prilling tower, the air temperature is the highest at the top of the tower, and the air temperature in the central area is the lowest at the same height. Finally, a new approach to the granulation process of pitch-based spherical activated carbon is developed, which provides a reference for the basic experimental data and numerical simulation direction for the use of granulation towers to complete the granulation of molten asphalt in industry in the future.
Application of Bis-Adducts of Phenyl-C61 Butyric Acid Methyl Ester in Promoting the Open-Circuit Voltage of Indoor Organic Photovoltaics
Authors: Hou Xueyan , Duan Xiaohan , Liang Mengnan , Wang Zixuan , Yan Dong
Published: March 2023

Fullerene-based indoor OPVs, particularly phenyl-C61 butyric acid methyl ester (PCBM), has been regarded as a prospective harvesting indoor light energy source to drive low-power consumption electronic devices such as sensors and IoTs. Due to the low tunability of its inherently spherical structure, the performance of the fullerene-based indoor OPVs seem to hit a bottleneck compared with the non-fullerene materials. Here, we explore the potential application of fullerene derivative bis-PCBM in indoor OPVs, which owns a higher the lowest unoccupied molecular orbital (LUMO) level than PCBM. The results show that when blended with PCDTBT, bis-PCBM devices yield a high VOC of up to 1.05 V and 0.9 V under AM 1.5G illumination and 1000 lx indoor light, compared with the corresponding values of 0.93 V and 0.79 V for PCBM devices. Nevertheless, the disorders in bis-PCBM suppress the JSC and FF and, therefore, result in a lower efficiency compared to PCBM devices. However, the efficiency and stability differences between the two kinds of cells were much reduced under indoor light conditions. After further optimization of the material composition and fabrication process, bis-PCBM could be an alternative to PCBM, offering great potential for indoor OPV with high performance.
Radial Variability of Selected Physical and Mechanical Parameters of Juvenile Paulownia Wood from Extensive Cultivation in Central Europe—Case Study
Authors: Tomczak Karol , Mania Przemysław , Jakubowski Marcin , Tomczak Arkadiusz
Published: March 2023

The research on Paulownia cultivation and wood properties is up to date in many countries. However, there are no data on the properties of this wood defined on a microscale, on microtome samples. The main aim of this study was to find the best valorization path for the wood of Paulownia Shang Tong Hybrid F1 from an extensively cultivated plantation established in April 2017 in Poland by determining the tensile strength, the wood density, the strength-to-density ratio, and the modulus of elasticity on a cross-section of the trunk. The wood was collected from extensive plantation, where production is based on the natural resources of the habitat and ambient weather conditions, which is the opposite to the intensive cultivation model, which is the recommended model of Paulownia cultivation. The results of this study show that the mean density of the analyzed samples was approximately 210 kg/m3 when the mean value of the modulus of elasticity (MOE) was approximately 2400 MPa. The mean result for the tensile strength ratio to density was 11.25 km. In the case of anatomical structure, the increasing trend with age was noticed both in fiber and vessel characteristics. The study results provide unique data worldwide about Paulownia wood’s properties based on a cross-section of the trunk, from plantations cultivated in conditions which are not recommended by seedlings producers. The obtained data indicate that the Paulownia wood (examined) from the cultivation in this study has a technical quality similar to that of model-intensive agricultural plantations.
Indentation Reverse Algorithm of Mechanical Response for Elastoplastic Coatings Based on LSTM Deep Learning
Authors: Long Xu , Ding Xiaoyue , Li Jiao , Dong Ruipeng , Su Yutai , Chang Chao
Published: March 2023

The load-penetration depth (P–h) curves of different metallic coating materials can be determined by nanoindentation experiments, and it is a challenge to obtain stress–strain response and elastoplastic properties directly using P–h curves. These problems can be solved by means of finite element (FE) simulation along with reverse analyses and methods, which, however, typically occupy a lengthy time, in addition to the low generality of FE methodologies for different metallic materials. To eliminate the challenges that exist in conventional FE simulations, a long short-term memory (LSTM) neural network is proposed in this study and implemented to deep learn the time series of P–h curves, which is capable of mapping P–h curves to the corresponding stress–strain responses for elastoplastic materials. Prior to the operation of the neural network, 1000 sets of indentation data of metallic coating materials were generated using the FE method as the training and validating sets. Each dataset contains a set of P–h curves as well as the corresponding stress–strain curves, which are used as input data for the network and as training targets. The proposed LSTM neural networks, with various numbers of hidden layers and hidden units, are evaluated to determine the optimal hyperparameters by comparing their loss curves. Based on the analysis of the prediction results of the network, it is concluded that the relationship between the P–h curves of metallic coating materials and their stress–strain responses is well predicted, and this relationship basically coincides with the power-law equation. Furthermore, the deep learning method based on LSTM is advantageous to interpret the elastoplastic behaviors of coating materials from indentation measurement, making the predictions of stress–strain responses much more efficient than FE analysis. The established LSTM neural network exhibits the prediction accuracy up to 97%, which is proved to reliably satisfy the engineering requirements in practice.
A Comprehensive Study on Non-Proprietary Ultra-High-Performance Concrete Containing Supplementary Cementitious Materials
Authors: Mousavinezhad Seyedsaleh , Gonzales Gregory J. , Toledo William K. , Garcia Judit M. , Newtson Craig M. , Allena Srinivas
Published: March 2023

Ultra-high performance concrete (UHPC) is a novel cement-based material with exceptional mechanical and durability properties. Silica fume, the primary supplementary cementitious material (SCM) in UHPC, is expensive in North America, so it is often substituted with inexpensive class F fly ash. However, future availability of fly ash is uncertain as the energy industry moves toward renewable energy, which creates an urgent need to find cost-effective and environmentally friendly alternatives to fly ash. This study investigated replacing cement, fly ash, and silica fume in UHPC mixtures with ground granulated blast-furnace slag (GGBFS), metakaolin, and a natural pozzolan (pumicite). To identify acceptable UHPC mixtures (28-day compressive strength greater than 120 MPa), workability, compression, and flexural tests were conducted on all mixtures. Then, durability properties including shrinkage, frost resistance, and chloride ion permeability (rapid chloride permeability and surface resistivity tests) were evaluated for the acceptable UHPC mixtures. Results showed that 75, 100, and 40% of fly ash in the control mixture could be replaced with pumicite, metakaolin, and GGBFS, respectively, while still producing acceptable strengths. Flexural strengths were greater than 14.20 MPa for all mixtures. For durability, UHPC mixtures had shrinkage strains no greater than 406 μstrain, durability factors of at least 105, and “very low” susceptibility to chloride ion penetration, indicating that these SCMs are suitable candidates to completely replace fly ash and partially replace silica fume in non-proprietary UHPC.
High-Temperature Mechanical and Dynamical Properties of γ-(U,Zr) Alloys
Authors: Ma Jiang-Jiang , Han Xue-Fen , Cai Xiao-Xiao , Qiu Ruizhi , Eriksson Olle , Zhang Ping , Wang Bao-Tian
Published: March 2023

High-temperature body-centered cubic (BCC) γ-U is effectively stablized by γ-(U,Zr) alloys that also make it feasible to use it as a nuclear fuel. However, relatively little research has focused on γ-(U,Zr) alloys due to their instability at room temperature. The effect of Zr composition on its mechanical properties is not clear yet. Herein, we perform molecular dynamics simulations to investigate the mechanical and dynamical stabilities of γ-(U,Zr) alloys under high temperatures, and we calculate the corresponding lattice constants, various elastic moduli, Vickers hardness, Debye temperature, and dynamical structure factor. The results showed that γ-U, β-Zr, and γ-(U,Zr) are all mechanically and dynamically stable at 1200 K, which is in good agreement with the previously reported high-temperature phase diagram of U-Zr alloys. We found that the alloying treatment on γ-U with Zr can effectively improve its mechanical strength and melting points, such as Vickers hardness and Debye temperature, making it more suitable for nuclear reactors. Furthermore, the Zr concentrations in γ-(U,Zr) alloys have an excellent effect on these properties. In addition, the dynamical structure factor reveals that γ-U shows different structural features after alloying with Zr. The present simulation data and insights could be significant for understanding the structures and properties of UZr alloy under high temperatures.
Accelerating Density Functional Calculation of Adatom Adsorption on Graphene via Machine Learning
Authors: Qu Nan , Chen Mo , Liao Mingqing , Cheng Yuan , Lai Zhonghong , Zhou Fei , Zhu Jingchuan , Liu Yong , Zhang Lin
Published: March 2023

Graphene has attracted significant interest due to its unique properties. Herein, we built an adsorption structure selection workflow based on a density functional theory (DFT) calculation and machine learning to provide a guide for the interfacial properties of graphene. There are two main parts in our workflow. One main part is a DFT calculation routine to generate a dataset automatically. This part includes adatom random selection, modeling adsorption structures automatically, and a calculation of adsorption properties. It provides the dataset for the second main part in our workflow, which is a machine learning model. The inputs are atomic characteristics selected by feature engineering, and the network features are optimized by a genetic algorithm. The mean percentage error of our model was below 35%. Our routine is a general DFT calculation accelerating routine, which could be applied to many other problems. An attempt on graphene/magnesium composites design was carried out. Our predicting results match well with the interfacial properties calculated by DFT. This indicated that our routine presents an option for quick-design graphene-reinforced metal matrix composites.
Shear Damage Simulations of Rock Masses Containing Fissure-Holes Using an Improved SPH Method
Authors: Yu Shuyang , Yang Xuekai , Ren Xuhua , Zhang Jixun , Gao Yuan , Zhang Tao
Published: March 2023

Fissures and holes widely exist in rock mechanics engineering, and, at present, their failure mechanisms under complex compress and shear stress states have not been well recognized. In our work, a fracture mark, ξ, is introduced, and the kernel function of the smoothed-particle hydrodynamics (SPH) is then re-written, thus realizing the fracture modelling of the rock media. Then, the numerical models containing the fissures and holes are established, and their progressive failure processes under the compress and shear stress states are simulated, with the results showing that: (1) the improved SPH method can reflect the dynamic crack propagation processes of the rock masses, and the numerical results are in good agreement with the previous experimental results. Meanwhile, the improved SPH method can get rid of the traditional mesh re-division problems, which can be well-applied to rock failure modeling; (2) the hole shapes, fissure angles, fissure lengths, fissure numbers, and confining pressure all have great impacts on the final failure modes and peak strengths of the model; and (3) in practical engineering, the rock masses are in the 3D stress state, therefore, developing a high performance 3D SPH program and applying it to engineering in practice will be of great significance.
Mechanical Modelling of the Strength and Stiffness of Circular Hollow Section Tube under Localised Transverse Compression and Tension
Authors: Latour Massimo , Di Benedetto Sabatino , Francavilla Antonella Bianca , Saldutti Alberico , Rizzano Gianvittorio
Published: March 2023

The component method is a powerful tool for designing and modelling steel beam-to-column connections. Its widespread use is ensured by several formulations currently included in Eurocode 3 part 1.8 for welded and bolted joints. However, the recent use of 3D Laser Cutting Technology (3D-LCT) in the construction market has enlarged the range of solutions, allowing the realisation of tubular columns with passing-through elements. Given the recent development, no design formulations are currently provided for this typology. At this moment, only a few research studies have developed to fill this knowledge gap. At the University of Salerno, since some years, research efforts are ongoing to characterise the flexural strength of connections between Circular Hollow Section columns and passing double-tee beams, suggesting methodologies to predict the behaviour of the resistance and stiffness of this typology and some of its elementary joint components. Within this framework, this paper aims to examine the strength and stiffness of one of the main components of this joint, which was never examined previously, that is the so-called tube under localised transverse tension/compression. Design formulations are derived from a parametric study carried out through numerical simulations of several geometric configurations.
Toward Elucidating the Influence of Hydrostatic Pressure Dependent Swelling Behavior in the CERCER Composite
Authors: Zhao Jian , Chen Zhenyue , Zhao Yunmei
Published: March 2023

A ceramic–ceramic (CERCER) fuel with minor actinide-enriched ceramic fuel particles dispersed in a MgO ceramic matrix is chosen as a promising composite target for accelerator-driven systems (ADS). Fission swelling is a complex irradiation-induced phenomenon that involves recrystallization, resolution, and hydrostatic pressure under extreme conditions of high temperature and significant fission flux. In this study, a multiscale computational framework was developed to integrate simulations of continuum-scale thermo-mechanical behavior in the CERCER composite with a grain-scale hydrostatic pressure-dependent fission gas swelling model. Hydrostatic pressure-dependent fission welling is taken into account in the stress update algorithms for UO2 particles. Accordingly, we programmed the user subroutines to define the thermo-mechanical constitutive relations in the finite element simulations. The obtained results indicate that (1) the proposed method accurately predicts the swelling deformation at various burnup levels while taking into account hydrostatic pressure and (2) prior to recrystallization, the particle swelling is primarily influenced by temperature variation, whereas after recrystallization, the presence of hydrostatic pressure favorably suppresses the swelling deformation. This work effectively captures the swelling behavior influenced by hydrostatic pressure within the dispersed-type CERCER composite fuel in ADSs.