bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advances and critical assessment of machine learning techniques for prediction of docking scores
Authors: Bucinsky Lukas , Gall Marián , Matúška Ján , Pitoňák Michal , Štekláč Marek 
Published: March 2023

AbstractHere we present three distinct machine learning (ML) approaches (TensorFlow, XGBoost, and SchNetPack) for docking score prediction. AutoDock Vina is used to evaluate the inhibitory potential of ZINC15 in‐vivo and in‐vitro‐only sets towards the SARS‐CoV‐2 main protease. The in‐vivo set (59 884 compounds) is used for ML training (max. 80%), validation (5%), and testing (15%). The in‐vitro‐only set (174 014 compounds) is used for the evaluation of prediction capability of the trained ML models. Contributions to the prediction error are analyzed with respect to compounds' charge, number of atoms, and expected inhibitory potential (docking score). Methods for the prediction error estimation of new compounds are considered, yet critically rejected. The ML input weighted with respect to the desired property (i.e., low docking score) in the machine learning models shows to be a promising option to improve the ML performance. Proposed models provide significant reduction in number of intriguing compounds that need to be investigated.
Efficacy of therapeutic plasma exchange in patients with severe COVID‐19: A systematic review and meta‐analysis
Authors: Abdelwahab Omar Ahmed , Diab Rehab Adel , Elsaeidy Khaled Saad , Albakri Khaled , El‐Samahy Mohamed , Ramadan Omar , Negida Ahmed , Seif Ali Mohamed , Al‐Alfy Mohamed N. 
Published: March 2023

AbstractWe conducted this systematic review and meta‐analysis to evaluate the existing evidence and to quantitatively synthesise evidence on the impact of therapeutic plasma exchange (TPE) on severe COVID‐19 patients. This systematic review and meta‐analysis protocol was prospectively registered on PROSPERO (CRD42022316331). We systemically searched six electronic databases (PubMed, Scopus, Web of Science, ScienceDirect, clinicaltrial.gov, and Cochrane Central Register of Controlled Trials) from inception until 1 June 2022. We included studies comparing patients who received TPE versus those who received the standard treatment. For risk of bias assessment, we used the Cochrane risk of bias assessment tool, the ROBINS1 tool, and the Newcastle Ottawa scale for RCTs, non‐RCTs, and observational studies, respectively. Continuous data were pooled as standardized mean difference (SMD), and dichotomous data were pooled as risk ratio in the random effect model with the corresponding 95% confidence intervals (CI). Thirteen studies (one randomized controlled trials (RCT) and 12 non‐RCTs) were included in the meta‐analysis, with a total of 829 patients. There is a moderate‐quality evidence from one RCT that TPE reduces the lactic dehydrogenase (LDH) levels (SMD −1.09, 95% CI [−1.59 to −0.60]), D‐dimer (SMD −0.86, 95% CI [−1.34 to −0.37]), and ferritin (SMD −0.70, 95% CI [−1.18 to −0.23]), and increases the absolute lymphocyte count (SMD 0.54, 95% CI [0.07–1.01]), There is low‐quality evidence from mixed‐design studies that TPE was associated with lower mortality (relative risk 0.51, 95% CI [0.35–0.74]), lower IL‐6 (SMD −0.91, 95% CI [−1.19 to −0.63]), and lower ferritin (SMD −0.51, 95% CI [−0.80 to −0.22]) compared to the standard control. Among severely affected COVID‐19 patients, TPE might provide benefits such as decreasing the mortality rate, LDH, D‐dimer, IL‐6, and ferritin, in addition to increasing the higher absolute lymphocyte count. Further well‐designed RCTs are needed.
Assessment on sustainable development of three major urban agglomerations in China based on sustainability‐differentiation‐combined weighting method
Authors: Li Weiwei , Yi Pingtao , Yu Haiting , Lin Weichao , Wu Xinyang 
Published: March 2023

AbstractSustainability is an important topic in the development process of urban agglomerations. Sustainability assessment is an effective way to monitor the sustainable development of urban agglomerations. Based on the three‐pillars model, the paper assessed the sustainability of the three major urban agglomerations in China by selecting 18 indicators from economic, social, and environmental dimensions. A new sustainability‐differentiation‐combined weighting method was proposed, which considers the sustainability at indicator level as well as highlights the difference at urban agglomeration level. The assessment results show that the Pearl River Delta (PRD) urban agglomeration performed best, followed by the Yangtze River Delta (YRD) urban agglomeration and the Beijing‐Tianjin‐Hebei (BTH) urban agglomeration. However, the sustainability level of the three urban agglomerations was not high. It primarily caused by the downward development trend of economic sustainability of the three urban agglomerations. And the YRD and PRD urban agglomerations had lower performances on social sustainability. The spatial sustainability of the urban agglomerations was also analyzed, and the results show the spatial linkage development within the urban agglomerations was poor. Based on these findings, some valuable suggestions were provided as reference for the sustainability construction of the urban agglomerations.
Modeling distribution parameters in system dynamics: an application in childhood obesity
Authors: Chiu Simon K , Freebairn Louise , Baur Louise A , Kreuger L. Kurt , Skinner Adam , Occhipinti Jo‐An 
Published: March 2023

AbstractSystem dynamics models are increasingly being used to understand the underlying dynamics of populations and hypothesize causal system structures that can account for changes in a population's disease burden. A considerable challenge for public health modeling is understanding how changes in underlying determinants of a problem impact a population's measure of public health, such as the prevalence of a disease. Additionally, it is common to have limited insights and data for the dynamics of these determinants. This article presents an analytical method of estimating underlying distributions using model‐generated prevalence relying on a minimum number of model stratum. This method models the evolution of the underlying distribution parameters by combining statistical distribution theory and system dynamics models. This article provides general equations for various applications and an in‐depth example using body mass index. © 2023 The Authors. System Dynamics Review published by John Wiley & Sons Ltd on behalf of System Dynamics Society.
When opportunity meets ability: The moderating effects of prolific inventors on novel drug innovation following product development failure in biotechnology
Authors: Tzabbar Daniel , Lahiri Amrita , Seo Donghwi Josh , Boeker Warren 
Published: March 2023

AbstractResearch SummaryThrough a longitudinal study of the product development portfolios of 457 US‐based firms in the biotechnology industry, we investigate how prolific inventors shape a firm's innovative direction following product development failure. Contrary to received wisdom, we argue and demonstrate that an increase in the number of prolific inventors is associated with a decrease in firm propensity to pursue novel product innovation following such failure. We further find that the presence of prolific inventors with greater collaborative strength and longer tenure negatively moderate the positive relationship between failure and the pursuit of novel product development. We discuss the implications of our results for research on learning from failure and strategic human capital.Managerial SummaryIn case of adverse events such as product development failure, managers often rely on the firm's prolific inventors to help the firm learn from failure. Our study shows that there are limits to this approach. While prolific inventors increase firm propensity for novel product development, such propensity is significantly decreased following product failure. We further establish that the presence of prolific inventors with greater collaborative strength and long tenures is especially likely to reduce firms' pursuit of novel products, while the presence of those with low collaborative strength and tenure tend to increase this propensity.
A Strategic Approach to Design Multi‐Functional RGB Luminescent Security Pigment Based Golden Ink with Myriad Security Features to Curb Counterfeiting of Passport
Authors: Kanika  , Kedawat Garima , Srivastava Shubhda , Gupta Bipin Kumar 
Published: March 2023

AbstractAuthentication and verification of the most important government issued identity proof, i.e. passport has become more complex and challenging in the last few decades due to various innovations in ways of counterfeiting by fraudsters. Here, the aim is to provide more secured ink without altering its golden appearance in visible light. In this panorama, a novel advanced multi‐functional luminescent security pigment (MLSP) based golden ink (MLSI) is developed that provides an optical authentication and information encryption features to protect the legitimacy of the passport. The advanced MLSP is derived from the ratiometric combination of different luminescent materials to form a single pigment which emits red (620 nm), green (523 nm) and blue (474 nm), when irradiated via 254, 365 and 980 nm NIR wavelengths, respectively. It also includes magnetic nanoparticles to generate magnetic character recognition feature. The MLSI has been fabricated to examine its printing feasibility and stability over different substrates using the conventional screen‐printing technique against harsh chemicals and under different atmospheric conditions. Hence, these advantageous multi‐level security features with golden appearance in visible light is a new breakthrough toward curbing the counterfeiting of passport as well as bank cheques, government documents, pharmaceuticals, military equipment, and many more.
Stimulus‐Responsive Drug Delivery Nanoplatforms for Osteoarthritis Therapy
Authors: Jiang Qi , Zhang Shufang 
Published: March 2023

AbstractOsteoarthritis (OA) is one of the most prevalent age‐related degenerative diseases. With an increasingly aging global population, greater numbers of OA patients are providing clear economic and societal burdens. Surgical and pharmacological treatments are the most common and conventional therapeutic strategies for OA, but often fall considerably short of desired or optimal outcomes. With the development of stimulus‐responsive nanoplatforms has come the potential for improved therapeutic strategies for OA. Enhanced control, longer retention time, higher loading rates, and increased sensitivity are among the potential benefits. This review summarizes the advanced application of stimulus‐responsive drug delivery nanoplatforms for OA, categorized by either those that depend on endogenous stimulus (reactive oxygen species, pH, enzyme, and temperature), or those that depend on exogenous stimulus (near‐infrared ray, ultrasound, magnetic fields). The opportunities, restrictions, and limitations related to these various drug delivery systems, or their combinations, are discussed in areas such as multi‐functionality, image guidance, and multi‐stimulus response. The remaining constraints and potential solutions that are represented by the clinical application of stimulus‐responsive drug delivery nanoplatforms are finally summarized.
Nano‐Econazole Enhanced PD‐L1 Checkpoint Blockade for Synergistic Antitumor Immunotherapy against Pancreatic Ductal Adenocarcinoma
Authors: Li Qiong , Qin Siyuan , Tian Hailong , Liu Ruolan , Qiao Ling , Liu Shanshan , Li Bowen , Yang Mei , Shi Jiayan , Nice Edouard C. , Li Jingquan , Lang Tingyuan , Huang Canhua 
Published: March 2023

AbstractInsufficienct T lymphocyte infiltration and unresponsiveness to immune checkpoint blockade therapy are still major difficulties for the clinical treatment of pancreatic ductal adenocarcinoma (PDAC). Although econazole has shown promise in inhibiting PDAC growth, its poor bioavailability and water solubility limit its potential as a clinical therapy for PDAC. Furthermore, the synergistic role of econazole and biliverdin in immune checkpoint blockade therapy in PDAC remains elusive and challenging. Herein, a chemo‐phototherapy nanoplatform is designed by which econazole and biliverdin can be co‐assembled (defined as FBE NPs), which significantly improve the poor water solubility of econazole and enhance the efficacy of PD‐L1 checkpoint blockade therapy against PDAC. Mechanistically, econazole and biliverdin are directly released into the acidic cancer microenvironment, to activate immunogenic cell death via biliverdin‐induced PTT/PDT and boost the immunotherapeutic response of PD‐L1 blockade. In addition, econazole simultaneously enhances PD‐L1 expression to sensitize anti‐PD‐L1 therapy, leading to suppression of distant tumors, long‐term immune memory effects, improved dendritic cell maturation, and tumor infiltration of CD8+T lymphocytes. The combined FBE NPs and α‐PDL1 show synergistic antitumor efficacy. Collectively, FBE NPs show excellent biosafety and antitumor efficacy by combining chemo‐phototherapy with PD‐L1 blockade, which has promising potential in a precision medicine approach as a PDAC treatment strategy.
Can thermal refuges save salmonids? Simulation of cold-pool benefits to salmonid populations
Authors: Railsback Steven F. , Harvey Bret C. 
Published: March 2023

Abstract

Objective
The literature on thermal refuges has focused on when fish use what kinds of refuge, but we address how refuge availability and characteristics affect population abundance and persistence under warming.

Methods
Population benefits of thermal refuges are very difficult to assess empirically, so we used InSTREAM, an individual-based trout population model. InSTREAM represents several ways temperature affects survival and growth, as mediated by behaviors such as deciding when and where to feed. The model’s credibility was established by showing that it closely reproduced 10 observed patterns in how refuge use varied with temperature, time of day, and trout size and in how refuge availability affects populations. We then simulated four levels of refuge availability in four increasingly warm temperature regimes, examining (1) survival and growth over summer periods of prolonged high temperatures and (2) population abundance and persistence over 22 years.

Result
In the simulation experiments, summer refuge use acted as a population bottleneck: the number of surviving trout increased with refuge area and decreased with temperature. During prolonged summer high temperatures, mortality was high until abundance dropped to a level sustainable by the refuges. The model predicted reduced but persistent populations under high warming when thermal refuges made up 2% or more of stream area.

Conclusion
The concept of salmonids “hanging on” in refuges, losing weight but surviving peak temperatures, was not supported by our experiment. The value of potential refuges to salmonid populations appears determined not just by temperature and area, but also by other characteristics that affect growth and survival, such as the availability of food and habitat for feeding and predator avoidance.
Regioselective C−H Trifluoromethylation and Its Related Reactions of (Hetero)aromatic Compounds
Authors: Kuninobu Yoichiro 
Published: March 2023

AbstractFluorinated functional groups, including trifluoromethyl group, play important roles in the development of drugs, agrochemicals, and organic functional materials. Therefore, the development of highly effective and practical reactions to introduce fluorinated functional groups into (hetero)aromatic compounds is highly desirable. We have achieved several regioselective C−H trifluoromethylation and related reactions by electrophilic and nucleophilic activation of six‐membered heteroaromatic compounds and steric protection of aromatic compounds. These reactions proceed in good to excellent yields, even on a gram scale, with high functional group tolerance, and are applicable to the regioselective trifluoromethylation of drug molecules. In this personal account, the background of the introduction reactions of fluorinated functional groups, our reaction designs to achieve regioselective C−H trifluoromethylation and the related reactions of (hetero)aromatic compounds are explained.
Postoperative adjuvant transarterial chemoembolisation improves survival of hepatocellular carcinoma patients with microvascular invasion: A multicenter retrospective cohort
Authors: Luo Laihui , Shan Renfeng , Cui Lifeng , Wu Zhao , Qian Junlin , Tu Shuju , Zhang WenJian , Xiong Yuanpeng , Lin Wei , Tang Hongtao , Zhang Yang , Zhu Jisheng , Huang Zeyu , Li Zhigang , Mao Shengping , Li Hui , Hu Zemin , Peng Peng , He Kun , Li Yong , Liu Liping , Shen Wei , He Yongzhu 
Published: March 2023

AbstractBackgroundWe aimed to investigate the efficacy of postoperative adjuvant transarterial chemoembolisation (PA‐TACE) in patients with hepatocellular carcinoma (HCC) complicated by microvascular invasion (MVI).MethodsA retrospective analysis of 1505 patients with HCC who underwent hepatectomy at four medical centers, including 782 patients who received PA‐TACE and 723 patients who did not receive adjuvant PA‐TACE, has been conducted. Propensity score matching (PSM) (1:1) was performed on the data to minimise selection bias, which resulted in a balanced clinical profile between groups.ResultsAfter PSM, 620 patients who received PA‐TACE and 620 patients who did not receive PA‐TACE were included. Disease‐free survival (DFS, 1‐, 2‐, and 3‐year: 88%‐68%‐61% vs. 70%‐58%‐51%, p < 0.001) and overall survival (OS, 1‐, 2‐, and 3‐year: 96%‐89%‐82% vs. 89%‐77%‐67%, p < 0.001) were significantly higher in patients who received PA‐TACE than in those who did not. Patients with MVI who received PA‐TACE had significantly higher DFS (1‐, 2‐, and 3‐year: 68%‐57%‐48% vs. 46%‐31%‐27%, p < 0.001) and OS (1‐, 2‐, and 3‐year: 96%‐84%‐77% vs. 79%‐58%‐40%, p < 0.001) than those who did not receive PA‐TACE. Among the six different liver cancer stages, MVI‐negative patients did not have significant survival outcomes from PA‐TACE (p > 0.05), whereas MVI‐positive patients achieved higher DFS and OS from it (p < 0.05). Liver dysfunction, fever, and nausea/vomiting were the most common adverse events in patients receiving PA‐TACE. There was no significant difference in grade 3 or 4 adverse events between the groups (p > 0.05).ConclusionsPostoperative adjuvant transarterial chemoembolisation has a good safety profile and may be a potentially beneficial treatment modality for survival outcomes in patients with HCC, especially those with concomitant MVI.
Development of highly conductive hybrid Ni‐biocarbon‐based polyvinyl alcohol composites for microwave shielding properties
Authors: Hymlin Rose S. G. , Kuppusamy P. G. , Tapas Bapu B. R. , Ponnusamy Muruganantham 
Published: March 2023

AbstractIn this study a highly flexible microwave shielding material was fabricated by solution casting method utilizing Nickel and biocarbon particles in PVA matrix and characterized for mechanical, magnetic, and microwave shielding properties. The main aim of this study was to prove the significant role of magnetic particles in electromagnetic interference (EMI) shielding along with conductive particles. The results show that the addition of Ni‐biocarbon hybrid particle increases the shielding properties up to 56.5 dB at 20 GHz. The magnetic permeability increased gradually with the inclusion of Ni particles with a highest magnetization, coercivity, and retentivity of 1250 E−6 emu, −9000 G, and 1100 E−6 emu. Similarly the mechanical results show that adding biocarbon enhances the composite's mechanical properties. A highest tensile strength, tear strength, elongation, and hardness are noted as 38, 168 MPa, 18.4%, and 36 Shore‐D. Comparatively, the hardness and elongation% of composite designations contains 3 and 5 vol% of hybrid particles have increased by 9% and 26%, respectively, in comparison to composite containing only 5 vol% of biocarbon with PVA. Scanning electron microscope fractography indicates biocarbon particles reduce voids and improve adhesion. These flexible EMI shielding composites could be used in telecommunication and other wave transmitting devices in engineering applications.
Electroosmotically augmented peristaltic flow of carbon nanotubes based nanofluid through asymmetrical channel
Authors: Khan Zafar Hayat , Akbar Noreen Sher , Akram Javaria , Hamid Muhammad , Wei Yangjiang 
Published: March 2023

AbstractThe peristaltic flow of nanofluids is an emerging area of scientific research due to its vital industrial and medical applications. Herein, a model study is conducted to numerically investigate, the electroosmotically augmented peristaltic pumping of electrically conducting aqueous ionic nanofluid through an inclined asymmetric channel. The behavior of the model for various involved parameters is expressed through a set of graphs. The velocity profile gained a significant increment for Joule heating and electroosmotic velocity parameters. The velocity dropped for the Hartmann number, while a dual behavior is noted for the thermal Grashof number. However, the magnetic number enhances the temperature, while a lower temperature is perceived for the electroosmotic velocity and Debye length parameters. The streamline pattern for the fluid flow subject to multiple values of the electroosmotic velocity parameter can be seen to indicate that for negative values of the parameter, a larger number of streamlines are circulated compared to the case when the electric field is absent, that is, . However, in the case of an opposing electric field, that is, for the positive values of the parameter, the streamline bolus occurs across the centerline of the channel.
Sexual dimorphism in Louisiana pine snakes (Pituophis ruthveni)
Authors: Mayer C. , Russell L. , McKinney M. , Litton M. , Mendyk R. W. , Cutler D. , Liu C. , Nevarez J. G. 
Published: March 2023

AbstractThe Louisiana pine snake, Pituophis ruthveni, is a cryptic, federally threatened snake species with several fragmented populations in Louisiana and Texas, USA. There are currently four captive breeding populations in zoos in the USA; however, little scientific data exists on their life history and anatomy. Accurate sex determination and identification of normal reproductive anatomy are an essential part of a veterinary exam and conservation programs. The authors had encountered various cases of sex misidentification in this species that were attributed to lack of lubrication of the sexing probes and enlarged musk glands. Anecdotal observation led to a hypothesis of sexual dimorphism based on body and tail shape. To test this hypothesis, we measured body length, tail length and width, and body to tail taper angle in 15 P. ruthveni (9 males and 6 females). We also obtained tail radiographs of all animals to document the presence of mineralized hemipenes. Significant dimorphism was identified in relative tail length, width, and taper angle; females consistently exhibited a more acute taper angle. Contrary to previous studies in other Pituophis species, a male‐biased sexual size dimorphism was not identified. Mineralized hemipenes were confirmed in all males (a newly described trait in this species), and we found that the lateral view was consistently more reliable for identification of hemipenes compared to the ventrodorsal view. This information contributes to the scientific community's understanding of this species and is of use to biologists and veterinarians working toward conservation of this threatened species.
What’s God Got to Do with It? Debating Religion and Forced Migration Entanglements
Authors: Goździak Elżbieta M. , Main Izabella 
Published: March 2023

AbstractThis introductory chapter sets up the stage for the subsequent contributions to this volume by presenting theoretical frameworks within which religion, including religious pluralism and religious tolerance, and forced migration are currently debated. It shows how political and policy debates on reception of refugees and asylum seekers intersect with the role religion and spirituality play in the lives of forced migrants. The chapter ends with a road map for the rest of the volume.