bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multifunctional nanoparticle for cancer therapy
Authors: Gao Yan , Wang Kaiyu , Zhang Jin , Duan Xingmei , Sun Qiu , Men Ke 
Published: January 2023

AbstractCancer is a complex disease associated with a combination of abnormal physiological process and exhibiting dysfunctions in multiple systems. To provide effective treatment and diagnosis for cancer, current treatment strategies simultaneously focus on various tumor targets. Based on the rapid development of nanotechnology, nanocarriers have been shown to exhibit excellent potential for cancer therapy. Compared with nanoparticles with single functions, multifunctional nanoparticles are believed to be more aggressive and potent in the context of tumor targeting. However, the development of multifunctional nanoparticles is not simply an upgraded version of the original function, but involves a sophisticated system with a proper backbone, optimized modification sites, simple preparation method, and efficient function integration. Despite this, many well‐designed multifunctional nanoparticles with promising therapeutic potential have emerged recently. Here, to give a detailed understanding and analyzation of the currently developed multifunctional nanoparticles, their platform structures with organic or inorganic backbones were systemically generalized. We emphasized on the functionalization and modification strategies, which provide additional functions to the nanoparticle. We also discussed the application combination strategies that were involved in the development of nanoformulations with functional crosstalk. This review thus provides an overview of the construction strategies and application advances of multifunctional nanoparticles.
Pedicled palmar intermetacarpal perforator flap for skin‐graftless syndactyly release: Anatomical study and clinical application
Authors: Soldado Francisco , Garcia‐Martinez Maria Cristina , Barrera‐Ochoa Sergi , Knorr Jorge , Couceiro Jose , Aversano Michael W. 
Published: January 2023

AbstractIntroductionDorsal hand skin flaps have been described in order to avoid digit skin grafting in syndactyly release. Although these skin‐graftless techniques present a lower rate of long term complications, they result in unsightly dorsal scarring and worse patient satisfaction. We describe a novel technique using an intermetacarpal palmar flap by performing an anatomic study and clinical application.Materials and MethodsTen colored‐latex‐injected fresh upper limbs were used to study the palmar cutaneous perforators to second to fourth intermetacarpal space skin flaps designed elliptical, its width extending from the center of each involved ray and measuring 40%–50% the length of the palm.ResultsThe anatomical study revealed a mean 2.77 (range 1 to 4) cutaneous perforators originating from either the common or proper digital vessels for every intermetacarpal space and measuring 0.4 mm (range 0.3 to 0.5 mm) in diameter.Clinical ApplicationThis flap, measuring a mean of 21.5 mm (range 20 to 23 mm) in length and 9.5 mm (range 9 to 10 mm) in width, was used to release simple syndactylies in three patients of mean age 24 months (range = 18–30 months). After skin incision, cutaneous septa to the digital canal were released to permit flap advancement to the web space. Cutaneous perforators were not dissected. Intra‐operative palmar‐flap advancement provided commissure coverage in all children with no skin grafts needed. Over a mean follow‐up of 15 months, no complications occurred, mean palm scar VSS was 2.4 (range 2 to 3) while it was 3 (range 3 to 3) for the commissure scars.ConclusionsSkin‐graftless syndactyly release using a palmar intermetacarpal flap seems both reliable and easy‐to‐perform.Level of EvidenceTherapeutic IV.
Exploring isofunctional molecules: Design of a benchmark and evaluation of prediction performance
Authors: Pinel Philippe , Guichaoua Gwenn , Najm Matthieu , Labouille Stéphanie , Drizard Nicolas , Gaston‐Mathé Yann , Hoffmann Brice , Stoven Véronique 
Published: January 2023

AbstractIdentification of novel chemotypes with biological activity similar to a known active molecule is an important challenge in drug discovery called ‘scaffold hopping’. Small‐, medium‐, and large‐step scaffold hopping efforts may lead to increasing degrees of chemical structure novelty with respect to the parent compound. In the present paper, we focus on the problem of large‐step scaffold hopping. We assembled a high quality and well characterized dataset of scaffold hopping examples comprising pairs of active molecules and including a variety of protein targets. This dataset was used to build a benchmark corresponding to the setting of real‐life applications: one active molecule is known, and the second active is searched among a set of decoys chosen in a way to avoid statistical bias. This allowed us to evaluate the performance of computational methods for solving large‐step scaffold hopping problems. In particular, we assessed how difficult these problems are, particularly for classical 2D and 3D ligand‐based methods. We also showed that a machine‐learning chemogenomic algorithm outperforms classical methods and we provided some useful hints for future improvements.
Research progress of antistatic‐reinforced polymer materials: A review
Authors: Liu Yangdong , Lu Siyuan , Luo Jing , Zhao Yaqin , He Jiasheng , Liu Chunli , Chen Zhenbin , Yu Xiaoqing 
Published: January 2023

AbstractPolymer materials have been widely used in modern industries duo to their characteristics such as lightweight, low price, and corrosion resistance. However, the inherent insulation of polymer materials can cause static electricity, which has become one of the major problems that has limited their application. Meanwhile, as the basis for ensuring the service field and life of the polymer materials, mechanical properties can affect the comprehensive properties of the polymer materials. Therefore, research on the preparation of composite materials with both antistatic properties and good mechanical properties with antistatic‐reinforced modification has attracted extensive attention and achieved important progress. Based on the principle of electrostatic electrification of antistatic‐reinforced modification, antistatic mechanisms and main preparation strategies, this paper summarized the research achievements of the antistatic‐reinforced polymer materials in recent years. Additionally, some factors that have affected their antistatic properties were presented, and the development trends of the antistatic‐reinforced polymer materials based on the deficiencies of current research were proposed.
Emergency department visits and hospitalizations for pediatric vaso‐occlusive pain events during the COVID‐19 pandemic
Authors: Romanos‐Sirakis Eleny , Demissie Seleshi 
Published: January 2023

AbstractThe coronavirus SARS‐CoV‐2 (COVID‐19) pandemic altered all aspects of life, including healthcare. During the pandemic, social distancing led to decreased transmission of typical viral illnesses, leading to a decrease in these pediatric admissions. Studies have shown that pediatric emergency department (ED) visits and hospitalizations decreased during the pandemic, which may have led to some unmet healthcare needs and delays in treatment. Little is known about the effect of the COVID‐19 pandemic on ED visits and hospitalizations specifically for pediatric sickle cell pain. A retrospective review across hospitals in the Northwell Health system was conducted to compare the ED visits and hospitalizations for pediatric patients with sickle cell pain during 2020 (the year of the pandemic), the following year (2021), and the 2 years prior to the pandemic (2018, 2019). The average length of stay for patients hospitalized with vaso‐occlusive events was also compared between these years. Total 511 patient encounters for patients seen and discharged home from the ED and 985 hospitalization encounters were included over the 4‐year timespan. ED visits per year decreased significantly in 2020 compared with the 2 years prior (p < .001): 91 visits in 2020, 162 visits in 2019, and 143 visits in 2018. The number of ED visits for pediatric vaso‐occlusive events trended upward in 2021 to 115. Hospitalizations also decreased in 2020 compared to the 2 years prior (n = 202 vs 196; p < .001), compared with 298 in 2019 and 289 in 2018. The number of patients hospitalized remained stable in 2021 (n = 202 vs 196). There was a statistically significant increase in the median length of stay in 2020 compared to years prior (p = .002): median (interquartile range [IQR]): 4.0 days (2–6 days) in 2020 compared to 3.0 days (2–5 days) in 2018 and 2019. ED encounters and hospitalizations for pediatric patients with sickle cell disease pain decreased during the pandemic; however, admitted patients had a longer median length of stay.
Perinatal outcomes and genomic characteristics of fetal copy number variants: An individual record linkage study of 713 pregnancies
Authors: Pynaker Cecilia , Norris Fiona , Hui Lisa , Halliday Jane 
Published: January 2023

AbstractObjectiveTo determine the perinatal outcomes of fetuses diagnosed with a pathogenic copy number variant (CNV) or variant of uncertain significance (VUS); and to characterize these variants in terms of testing indication, genomic location, size, and inheritance.MethodsRetrospective study of singleton pregnancies with a pathogenic CNV or VUS from a single laboratory during 2012–2018. Probabilistic record linkage between the prenatal diagnosis dataset and perinatal outcome data for births from 20 weeks gestation was performed. If no birth record was found, this implied a pregnancy loss <20 weeks.ResultsWe included 6945 prenatal microarray results; a pathogenic CNV was detected in 230 (3.3%, 95% CI: 2.9%–3.8%) and a VUS in 483 (7.0%, 95% CI: 6.4%–7.6%). Of pregnancies with a pathogenic CNV, 20.0% (95% CI: 15.3%–25.6%) had a live birth, 3.0% (95% CI: 1.5%–6.2%) had a perinatal death (stillbirth or neonatal death), and 77% (95% CI: 71.1%–81.9%) had no birth record. Of those with a VUS, 64.4% (95% CI: 60.0%–68.5%) had a live birth, 1.8% (95% CI: 1.0%–3.5%) had a perinatal death, and no birth record was found for 33.7% (95% CI: 29.7%–38.1%). Most pathogenic CNVs (61.1%) were <7 Mb in size. The most common microdeletion syndromes were DiGeorge, Wolf‐Hirschhorn, and Cri‐du‐chat syndromes.ConclusionThis study provides an overview of perinatal outcomes and frequency of recurrent CNVs observed in the prenatal microarray era.
Mechanical and surface properties of corona‐treated titanium dioxide‐embedded opaque white low‐density/Linear low‐density polyethylene film
Authors: Das Bidhan , Chakrabarty Debabrata , Mukherjee Avik , Guha Chandan , Bose Saswata 
Published: January 2023

AbstractThis study encompasses the characterization of corona‐treated milky white co‐extruded polyethylene films. The surface energies developed at various applied voltages were investigated by standard wetting (dyne) solutions of binary liquid mixtures. A maximum treatment of 40 dynes/cm was achieved at 3.0 kW of the applied load. Maximum heat seal joint strength of 1.05 kN/m was achieved only when an untreated/untreated surface combination was sealed, while a treated/treated surface combination exhibited the minimum heat seal joint strength of 0.98 kN/m. Standard Scotch tape method was employed for testing peel adhesion. An applied load of more than 3.0 kW shows a decreasing trend in surface energy. The coefficient of friction on the treated surface was also investigated. Aging under different environmental conditions had hardly any impact on the treatment levels within the time period under study. A sufficiently opaque (Opacity—99%) white film at Titanium dioxide (TiO2) loading of 7.5% resulted in a very good barrier film.
Lack of repeatability of radiomic features derived from PET scans: Results from a 18F‐DCFPyL test–retest cohort
Authors: Werner Rudolf A. , Habacha Bilêl , Lütje Susanne , Bundschuh Lena , Kosmala Alekandser , Essler Markus , Derlin Thorsten , Higuchi Takahiro , Lapa Constantin , Buck Andreas K. , Pienta Kenneth J. , Lodge Martin A. , Eisenberger Mario A. , Markowski Mark C. , Pomper Martin G. , Gorin Michael A. , Frey Eric C. , Rowe Steven P. , Bundschuh Ralph A. 
Published: January 2023

AbstractObjectivesPET‐based radiomic metrics are increasingly utilized as predictive image biomarkers. However, the repeatability of radiomic features on PET has not been assessed in a test–retest setting. The prostate‐specific membrane antigen‐targeted compound 18F‐DCFPyL is a high‐affinity, high‐contrast PET agent that we utilized in a test‐retest cohort of men with metastatic prostate cancer (PC).MethodsData of 21 patients enrolled in a prospective clinical trial with histologically proven PC underwent two 18F‐DCFPyL PET scans within 7 days, using identical acquisition and reconstruction parameters. Sites of disease were segmented and a set of 29 different radiomic parameters were assessed on both scans. We determined repeatability of quantification by using Pearson's correlations, within‐subject coefficient of variation (wCOV), and Bland–Altman analysis.ResultsIn total, 230 lesions (177 bone, 38 lymph nodes, 15 others) were assessed on both scans. For all investigated radiomic features, a broad range of inter‐scan correlation was found (r, 0.07–0.95), with acceptable reproducibility for entropy and homogeneity (wCOV, 16.0% and 12.7%, respectively). On Bland–Altman analysis, no systematic increase or decrease between the scans was observed for either parameter (±1.96 SD: 1.07/−1.30, 0.23/−0.18, respectively). The remaining 27 tested radiomic metrics, however, achieved unacceptable high wCOV (≥21.7%).ConclusionMany common radiomic features derived from a test–retest PET study had poor repeatability. Only Entropy and homogeneity achieved good repeatability, supporting the notion that those image biomarkers may be incorporated in future clinical trials. Those radiomic features based on high frequency aspects of images appear to lack the repeatability on PET to justify further study.
Ligands‐induced open‐close conformational change during DapE catalysis: Insights from molecular dynamics simulations
Authors: Muduli Sunita , Mishra Sabyashachi 
Published: January 2023

AbstractThe microbial enzyme DapE plays a critical role in the lysine biosynthetic pathway and is considered as a potentially safe antibiotic target. In this study, atomistic simulations are employed to identify the modes of essential dynamics that define the conformational response of the enzyme to ligand binding and unbinding. The binding modes and the binding affinities of the products to the DapE enzyme are estimated from the MM‐PBSA method, and the residues contributing to the ligand binding are identified. Various structural analyses and the principal component analysis of the molecular dynamics trajectories reveal that the removal of products from the active site causes a significant change in the overall enzyme structure. Both Cartesian and dihedral principal component analyses are used to characterize the structural changes in terms of domain unfolding and domain twisting motions. In the most dominant mode, that is, the domain unfolding motion, the two catalytic domains move away from the two dimerization domains of the dimeric enzyme, representing a closed‐to‐open conformational change. The conformational changes are initiated by the coordinated movement of three loops (Asp75‐Pro82, Gly240‐Asn244, and Thr347‐Glu353) that trigger a domain‐level movement. From multiple short trajectories, the time constant associated with the domain opening motion is estimated as 43.6 ns. Physiologically, this close‐to‐open conformational change is essential for the regeneration of the initial state of the enzyme for the subsequent cycle of catalytic action and provides the apo enzyme enough flexibility for efficient substrate binding.
Fisetin, a dietary flavonoid, increases the sensitivity of chemoresistant head and neck carcinoma cells to cisplatin possibly through HSP90AA1/IL‐17 pathway
Authors: Ling Junjun , Zhang Liang , Wang Yan , Chang Aoshuang , Huang Yi , Zhao Houyu , Zhuo Xianlu 
Published: January 2023

AbstractCisplatin (DDP) resistance is a bottleneck in the treatment of head and neck cancer (HNC), leading to poor prognosis. Fisetin, a dietary flavonoid, has low toxicity and high antitumor activity with unclear mechanisms. We intended to predict the targets of fisetin for reversing DDP‐resistance and further verify their expressions and roles. A network pharmacology approach was applied to explore the target genes. The hub genes were screened out and subjected to molecular docking and experimental verification (in vivo and in vitro). Thirty‐two genes common to fisetin and DDP‐resistance were screened, including three hub genes, namely HSP90AA1, PPIA, and PTPRS. Molecular docking suggested that fisetin and the candidate proteins could bind tightly. HSP90AA1 was identified as the key gene. Administration of fisetin increased the sensitivity of chemoresistant cells (Cal27/DDP and FaDu/DDP) to DDP, accompanied by the downregulation of HSP90AA1 and IL‐17. HSP90AA1 silencing increases the sensitivity of DDP‐resistant cells to DDP, which was mediated by IL‐17. In summary, fisetin might inhibit the chemoresistance of HNC cells to DDP by targeting the HSP90AA1/IL‐17 pathway. Several hub genes might be the targets of fisetin for reversing DDP‐resistance in HNC cells and might also serve as prognostic factors and therapeutic targets for HNC.
Local resilience for low‐carbon transition in Poland: Frameworks, conditions and opportunities for Central European countries
Authors: Verma Pramit , Chodkowska‐Miszczuk Justyna , Lewandowska Agata , Wiśniewski Łukasz 
Published: January 2023

AbstractPoland, with its objective of switching from a fossil‐fuel base to renewable sources of energy, is a textbook example of an energy transition economy. In this review, the challenges and opportunities for local resilience were identified, followed by an in‐depth analysis of Low Carbon Economy Plans (LCEP) in the 10 largest cities of Poland. The methodology included a bibliometric analysis of the peer‐reviewed studies published from 2010 to 2022, along with K‐means clustering (empirical analysis) of the selected Polish cities. The challenges and opportunities were classified into social (S), economic (E), institutional (I), political (P), technological (T) and environmental (EN) dimensions. Institutional and political dimensions were identified as having a relatively neglected niche in low‐carbon transition research, necessitating an empirical analysis of LCEP at the city scale. Exploiting the knowledge base of traditional sustainable activities, understanding the power relations between the politics, stakeholders and industry elements, and knowledge‐based governance were found vital for creating relevant policies. Three modes of development, multi‐activity goals (MG), energy transition goals (EG), and transport goals (TG) were identified for increasing local resilience. The results illustrate the need to understand low‐carbon policies and their impacts on both energy transitions and local resilience.
Stabilizing High Density Cu Active Sites with ZrO2 Quantum Dots as Chemical Ligand in N‐doped Porous Carbon Nanofibers for Efficient ORR
Authors: Qiao Yue , Zhang Yuanyuan , Xia Shuhui , Wei Chaolong , Chen Yuehui , Chen Shuo , Yan Jianhua 
Published: January 2023

AbstractThe emerging transition metal‐nitrogen‐carbon (MNC) materials are considered as a promising oxygen reduction reaction (ORR) catalyst system to substitute expensive Pt/C catalysts due to their high surface area and potential high catalytic activity. However, MNC catalysts are easy to be attacked by the ORR byproducts that easily lead to the deactivation of metal active sites. Moreover, a high metal loading affects the mass transfer and stability, but a low loading delivers inferior catalytic activity. Here, a new strategy of designing ZrO2 quantum dots and N‐complex as dual chemical ligands in N‐doped bubble‐like porous carbon nanofibers (N‐BPCNFs) to stabilize copper (Cu) by forming CuZrO3‐x/ZrO2 heterostructures and CuN ligands with a high loading of 40.5 wt.% is reported. While the highly porous architecture design of N‐BPCNFs builds a large solidelectrolytegas phase interface and promotes mass transfer. The preliminary results show that the half‐wave potential of the catalyst reaches 0.856 V, and only decreases 0.026 V after 10 000 cycles, exhibiting excellent stability. The proposed strategy of stabilizing metal active sites with both heterostructures and CuN ligands is feasible and scalable for developing high metal loading ORR catalyst.
Trapping Lithium Selenides with Evolving Heterogeneous Interfaces for High‐Power Lithium‐Ion Capacitors
Authors: Tao Shusheng , Momen Roya , Luo Zheng , Zhu Yirong , Xiao Xuhuan , Cao Ziwei , Xiong Dengyi , Deng Wentao , Liu Youcai , Hou Hongshuai , Zou Guoqiang , Ji Xiaobo 
Published: January 2023

AbstractTransition metal selenides anodes with fast reaction kinetics and high theoretical specific capacity are expected to solve mismatched kinetics between cathode and anode in Li‐ion capacitors. However, transition metal selenides face great challenges in the dissolution and shuttle problem of lithium selenides, which is the same as Li‐Se batteries. Herein, inspired by the density functional theory calculations, heterogeneous can enhance the adsorption of Li2Se relative to single component selenide electrodes, thus inhibiting the dissolution and shuttle effect of Li2Se. A heterostructure material (denoted as CoSe2/SnSe) with the ability to evolve continuously (CoSe2/SnSe→Co/Sn→Co/Li13Sn5) is successfully designed by employing CoSnO3‐MOF as a precursor. Impressively, CoSe2/SnSe heterostructure material delivers the ultrahigh reversible specific capacity of 510 mAh g−1 after 1000 cycles at the high current density of 4 A g−1. In situ XRD reveals the continuous evolution of the interface based on the transformation and alloying reactions during the charging and discharging process. Visualizations of in situ disassembly experiments demonstrate that the continuously evolving interface inhibits the shuttle of Li2Se. This research proposes an innovative approach to inhibit the dissolution and shuttling of discharge intermediates (Li2Se) of metal selenides, which is expected to be applied to metal sulfides or Li‐Se and Li‐S energy storage systems.
Gap height prediction for bolted ring flange connections based on measurements
Authors: Buchholz Aljoscha , Seidel Marc 
Published: January 2023

AbstractWind turbine towers and their flange connections are highly fatigue loaded structures. Previous investigations have shown that initial parallel gaps between L‐flange connections, which are resulting from their respective flatness of the contact surfaces, can increase fatigue loads of the connecting fasteners significantly. Flange flatness and/or gap sizes in between flanges must comply with limitations given in relevant standards and therefore must be measured after the manufacturing process and/or during installation. More than 1900 flatness measurements of several offshore wind projects were collected and used to determine initial gaps between flanges analytically. A statistical evaluation allows to determine the distribution of expected gap sizes. The increase of gap height with increasing gap length can be described with linear correlations. Furthermore, the distributions of gap heights are approximated with log‐normal distributions. Parameters for generic log‐normal distributions are derived considering all performed mating simulations. Following the described methodology, gaps can be determined from any large number of flatness measurements. It is proposed to consider the results for flange design.