bluuebunny/crossref_metadata_2025_split huggingface dataset:
Empirical Model of Solvophobic Interactions in Organic Solvents
Authors: Manzewitsch Alexander N. , Liu Hao , Lin Binzhou , Li Ping , Pellechia Perry J. , Shimizu Ken D. 
Published: November 2023

AbstractAn empirical model was developed to predict organic solvophobic effects using N‐phenylimide molecular balances functionalized with non‐polar alkyl groups. Solution studies and X‐ray crystallography confirmed intramolecular alkyl‐alkyl interactions in their folded conformers. The structural modularity of the balances allowed systematic variation of alkyl group lengths. Control balances were instrumental in isolating weak organic solvophobic effects by eliminating framework solvent‐solute effects. A 19F NMR label enabled analysis across 46 deuterated and non‐deuterated solvent systems. Linear correlations were observed between organic solvophobic effects and solvent cohesive energy density (ced) as well as changes in solvent‐accessible surface areas (SASA). Using these empirical relationships, a model was constructed to predict organic solvophobic interaction energy per unit area for any organic solvent with known ced values. The predicted interaction energies aligned with recent organic solvophobic measurements and literature values for the hydrophobic effect on non‐polar surfaces confirmed the model‘s accuracy and utility.
Iminopyrrole‐Based Self‐Assembly: A Route to Intrinsically Flexible Molecular Links and Knots
Authors: Sarwa Aleksandra , Białońska Agata , Sobieraj Michał , Martínez Juan Pablo , Trzaskowski Bartosz , Szyszko Bartosz 
Published: November 2023

AbstractThe use of 2,5‐diformylpyrrole in self‐assembly reactions with diamines and Zn(II)/Cd(II) salts allowed the preparation of [2]catenane, trefoil knot, and Borromean rings. The intrinsically dynamic nature of the diiminopyrrole motif rendered all of the formed assemblies intramolecularly flexible. The presence of diiminopyrrole revealed new coordination motifs and influenced the host–guest chemistry of the systems, as illustrated by hexafluorophosphate encapsulation by Borromean rings.
Structure–property evolution of poly(ethylene terephthalate)/poly(trimethylene terephthalate) side‐by‐side self‐crimp filament
Authors: Zhang Xuzhen , Nan Jingwen , Huang Wenjian , Xiao Shunli , Wang Xiuhua , Sun Yanlin , Zhou Jin , Chen Wenxing 
Published: November 2023

AbstractTo investigate the microstructure and mechanical properties of self‐crimping two‐component side‐by‐side bicomponent filament, this paper focuses on systematically investigating the structure–property evolution of poly(ethylene terephthalate) (PET)/poly(trimethylene terephthalate) (PTT) side‐by‐side bicomponent filament prepared via melt spinning with various component ratios, drawing and heating treatment. The investigation was operated upon the combination of morphology analysis, thermal analysis, crystallization, and orientation analysis. The variation of cross section and curl‐morphology, crystallization, and microstructures mainly containing lamellar and microfibrillar crystals as well as their effects on the mechanical and self‐crimping properties were discussed. As the draft ratio (DR) increases, the crystallinity, sonic orientation factor, tensile strength, and crimp‐recovery rate of the filaments were increased. The sonic orientation factor in the crystalline region decreases from 0.923 to 0.777 but increases from 0.677 to 0.903 in the amorphous region. In contrast to the variation of the DR, heating temperature has a limited effect on the tensile strength of the PET/PTT hybrid filaments. Crimp‐recovery rate, however, first increases to 11.8 and then decreases to 9.8 with an increasing heating temperature from 144 to 168°C. Most of these behaviors have been attributed to changes in the ratio of contractile stress for both PTT and PET components, originating from microstructural evolution in hybrid filaments, including crystal growth, breakage, deflection, and deformation of chains along the axial direction. As a summary, an interpretive diagrammatic sketch has been proposed to clarify the structure–property relationships of the commercial PET/PTT filaments.
Reprocessing polyurethane foam using dynamic covalent chemistry in extrusion
Authors: van Aart Jeroen , den Doelder Jaap , Heuts Johan P. A. 
Published: November 2023

AbstractThermoset polyurethanes (PUs) pose recycling challenges due to their crosslinked structure. This study investigates the possibility to directly reprocess PU foams through (dynamic) carbamate exchange using reactive extrusion. By varying compounding temperature and catalyst (dibutyltin dilaurate, DBTDL) concentration, the extrusion process is examined using torque measurements. We clearly show that it is possible to reprocess the PU foam at temperatures well below 200°C and that DBTDL catalyst greatly enhances bond exchange rates during compounding. Reproducible extrusions at 160°C with 0.3 wt% DBTDL result in a material with a gel fraction of 0.90 displaying typical dynamic covalent network behavior, as confirmed by stress relaxation measurements. The measured characteristic relaxation times display an Arrhenius‐type temperature dependence with an activation energy of 41 kJ/mol. Successful extrusion of fully crosslinked PU foam at milder temperatures with DBTDL catalyst demonstrates potential for PU foam recycling using reactive extrusion, and generally highlights the feasibility of dynamic crosslink reconfiguration for waste reduction and improved sustainability.
Anxieties, defenses and perverse dynamics in a manufacturing firm
Authors: Mateescu Veronica M. , Butaru Lucian T. 
Published: November 2023

AbstractThis paper aims to demonstrate how a socioanalytic perspective deepens an anthropological one. We focused our attention on the instrumentalization of personal and collective anxieties within a small organization, in order to reveal how and why power works. By using psychoanalytic concepts, we were able to draw the space of possibles that nests the relations of dominance. Our research draws on fieldwork conducted in a rural community in Northern Romania. We used participant observation, semi‐structured and unstructured interviews. Relying on the observed vulnerabilities and local idiosyncrasies that create specific necessities and expectations, we tried to show how defense systems, basic assumptions and perverse dynamics shape the organization's culture.
Association of cognitive and adaptive skills with internalizing and externalizing problems in autistic children and adolescents
Authors: Donoso Javiera , Rattray Fiona , de Bildt Annelies , Tillmann Julian , Williams Penny , Absoud Michael , Totsika Vasiliki 
Published: November 2023

AbstractThe presence of an intellectual disability (ID) alongside autism is considered to increase the risk for mental health and behavior problems in children and adolescents. Existing evidence is restricted by looking at ID as a categorical classification. The study aimed to examine the association of cognitive and adaptive behavior skills with internalizing and externalizing problems in a large sample of autistic children and adolescents, across a wide range of cognitive skills. Participants were 2759 children and adolescents aged between 4 and 18 years recruited as part of the Simons Simplex Collection (SSC), of whom 709 (approximately 25%) had ID. Multiple regression models examined associations of internalizing and externalizing problems with cognitive and adaptive skills (communication, daily living, and socialization skills). Cognitive skills were not associated with externalizing problems but were associated with more internalizing problems in autistic children without ID (Cog β: 0.126). All adaptive skill domains were inversely associated with externalizing (Communication β: −0.145; Daily‐Living β: −0.132; Socialization β: −0.289) and internalizing problems (Communication β: −0.074; Daily‐Living β: −0.064; Socialization β: −0.213) in those without ID. Daily living (β: −0.158) and socialization skills (β: −0.104) were inversely correlated with externalizing problems in autistic children with ID, while only socialization problems (β: −0.099) were associated with internalizing problems in this group. Socialization skills were systematically associated with internalizing and externalizing problems across all levels of cognitive functioning. Supporting social skills development may benefit all aspects of child mental health, while recognizing that children with higher cognitive skills are more vulnerable to internalizing problems might assist with earlier identification of these problems.
Montagehafen an der Ruhr – OB‐Lehr‐Brückenzug in Duisburg
Authors: Hente Jonas , Ebers‐Ernst Jeannette 
Published: November 2023

AbstractDer Oberbürgermeister‐Lehr‐Brückenzug in Duisburg verbindet die Duisburger Stadtteile Ruhrort und Kaßlerfeld. Er führt die Ruhrorter Straße u. a. über mehrere Wasserstraßen zur Hafenanbindung und die Ruhr. Der Brückenzug hat eine enorme Bedeutung für die Anbindung des Duisburger Hafens an die Fernstraßen als auch die Querung der Ruhr für den Individualverkehr und den ÖPNV. Da sowohl der Querschnitt als auch der bauliche Zustand der vorhandenen Brücken nicht in der Lage sind, die zunehmende zukünftige Verkehrsbelastung aufzunehmen, ist der Neubau des Brückenzugs erforderlich. Um während der Bauphase sämtliche Verkehre aufrechterhalten zu können, wird eine Behelfsumfahrung unter Nutzung der neuen Überbauten in Seitenlage errichtet. Die Vormontage der Überbauten muss unter Beachtung der Andienung der Vormontagefläche (VMF) als auch der Anforderungen aus dem Einschwimmen im Nahbereich des Bestandsbrückenzugs erfolgen. Aufgrund der innerstädtischen Lage ist der Raum für eine temporäre VMF stark eingeschränkt, sodass die Überbauten auf einer ca. 25.000 m2 großen Fläche südlich des Kaßlerfelder Kreisels im Bereich des Ruhrvorlands und des Ruhrdeichs vormontiert werden. Die VMF wird damit auch im hochwassergefährdeten Bereich errichtet, gleichzeitig ist die Schutzwirkung des Ruhrdeichs durch die temporäre Inanspruchnahme in keiner Weise einzuschränken. Angesichts der Insellage der Baustelle ist die Andienung der VMF über einen temporären Montagehafen an der Ruhr erforderlich.
Investigating sustainability tensions and resolution strategies in the plastic food packaging industry—A paradox theory approach
Authors: Farrukh Amna , Sajjad Aymen 
Published: November 2023

AbstractIncreasing food waste, natural resource depletion, and climate change issues have forced plastic food packaging (PFP) companies to align their business strategies with sustainability aspects. At the same time, however, companies operating in the food packaging industry continue to face tensions while pursuing divergent sustainability goals simultaneously. Drawing on paradox theory, this study aims to examine paradoxical sustainability tensions in the PFP industry and propose potential resolution strategies to resolve diverse tensions arising from addressing competing social, economic, and environmental concerns simultaneously. To this end, we employed a qualitative research methodology and interviewed 15 senior corporate managers and consultants in the PFP industry. Based on the empirical data, we develop categories of sustainability tensions related to operations and supply chain, recycling, and external stakeholders associated with performing, organizing, learning, and belonging paradoxes. Further, we propose resolution strategies including multi‐stakeholder collaboration, research and innovation, circular economy, and use of integrated business strategies which are aligned with the acceptance, spatial separation, temporal separation, and synthesis approaches of the paradox theory. To the best of our knowledge, it is one of the early studies that embrace a paradox lens to investigate the sustainability tensions and resolution strategies in the PFP industry. Further, the study results could guide practitioners and policymakers in the PFP industry to comprehend underlying paradoxical sustainability tensions and promote resolution strategies to address divergent yet desirable economic, social, and environmental considerations simultaneously.
The history of forensic neuropsychiatry
Authors: Fozdar Manish A. 
Published: November 2023

AbstractSignificant advances in various disciplines of neurosciences, such as neurology, neuropsychiatry, neuroimaging, and neurogenetics, have caused an exciting field to emerge in the field of forensic neuropsychiatry called neurolaw. The resurgence of interest in this field has paralleled the renaissance of neuropsychiatry in the last few decades. This historical review of the practice of forensic neuropsychiatry provides an insight into the past with the hope that it will guide the future development of this field.
First magnetic particle imaging to assess pulmonary vascular leakage in vivo in the acutely injured and fibrotic lung
Authors: Feng Xin , Gao Pengli , Li Yabin , Hui Hui , Jiang Jingying , Xie Fei , Tian Jie 
Published: November 2023

AbstractIncreased pulmonary vascular permeability is a characteristic feature of lung injury. However, there are no established methods that allow the three‐dimensional visualization and quantification of pulmonary vascular permeability in vivo. Evans blue extravasation test and total protein test of bronchoalveolar lavage fluid (BALF) are permeability assays commonly used in research settings. However, they lack the ability to identify the spatial and temporal heterogeneity of endothelial barrier disruption, which is typical in lung injuries. Magnetic resonance (MR) and near‐infrared (NIR) imaging have been proposed to image pulmonary permeability, but suffer from limited sensitivity and penetration depth, respectively. In this study, we report the first use of magnetic particle imaging (MPI) to assess pulmonary vascular leakage noninvasively in vivo in mice. A dextran‐coated superparamagnetic iron oxide (SPIO), synomag®, was employed as the imaging tracer, and pulmonary SPIO extravasation was imaged and quantified to evaluate the vascular leakage. Animal models of acute lung injury and pulmonary fibrosis (PF) were used to validate the proposed method. MPI sensitively detected the SPIO extravasation in both acutely injured and fibrotic lungs in vivo, which was confirmed by ex vivo imaging and Prussian blue staining. Moreover, 3D MPI illustrated the spatial heterogeneity of vascular leakage, which correlated well with CT findings. Based on the in vivo 3D MPI images, we defined the SPIO extravasation index (SEI) to quantify the vascular leakage. A significant increase in SEI was observed in the injured lungs, in consistent with the results obtained via ex vivo permeability assays. Overall, our results demonstrate that 3D quantitative MPI serves as a useful tool to examine pulmonary vascular integrity in vivo, which shows promise for future clinical translation.
Modification of a Common β‐diketiminate NacNac Framework via Sequential Lithiation and Small Molecule Insertion
Authors: Lynch Jennifer R. , Kennedy Alan R. , Barker Jim , Mulvey Robert E. 
Published: November 2023

AbstractA widely utilised class of ligands in synthesis and catalysis, β‐diketiminate (BDI) or NacNac compounds were initially considered innocent in the sense that they remained intact in all their applications. That changed when the γ‐C−H unit of their NCCCN backbone was found to engage in reactions with electrophiles. Here, we show that this special reactivity can be used advantageously to prepare tripodal modifications of the common NacNac ligand derived from 2,6‐diisopropylphenyl‐β‐methyldiketimine [NacNacH (Me, Dipp)]. Lithiation to give NacNacLi, followed by reactions with isocyanates, isothiocyanates and a carbodiimide, have afforded a series of tripodal NacNac variants having N,N,N,O; N,N,N,S; or N,N,N,N potential dentation sites, many of which have been crystallographically characterised. Distinct ligating modes of these new ligands have been elucidated through the crystal structures of their lithiated derivatives.
Exploring Derivatives of Quinolizidine Alkaloid Sophoridine in the Design and Biological Mechanistic Evaluation of Histone Deacetylase Inhibitors against Triple‐Negative Breast Cancer
Authors: Dai Linlin , Tan Cheng , Wang Hui , Wang Luyao , Zhang Ting , Zhi Shuang , Yang Zibo , Zhao Xiumei , Li Dongdong 
Published: November 2023

AbstractAs a critical epigenetic modulator of gene expression, histone deacetylases (HDACs) have been involved in the pathogenesis and therapeutic investigation of cancer. Quinolizidine alkaloid sophoridine is known to have anticancer efficacy but with limited indication. By incorporating the pharmacophore of the HDAC inhibitor into the ring‐opened sophoridine core, a new series of sophoridine hydroxamic acid derivatives were synthesized. After structure‐activity studies, a selected compound was found to exert significant cytotoxicity in triple‐negative breast cancer CAL‐51 cells (IC50 1.17 μM), and demonstrated low nanomolar inhibitory potency toward HDAC1/3/6. Cellular functional assays indicated that this compound was able to induce apoptosis and cause accumulation of cells in the S phase of the cell cycle. Western blot analysis revealed it to decrease the expression of DNMT1, DNMT3a and DNMT3b by down‐regulating phosphor‐ERK1/2. Furthermore, treatment with this compound proved to block the PI3K/AKT/mTOR signaling in the PI3KCA and PTEN‐mutant CAL‐51 cells. Collectively, this work provides a novel lead compound for the development of potential therapeutics against triple‐negative breast cancers, possibly mesenchymal‐like subtype.
Identification of characteristics and construction of nomogram to predict the survival probability of mesonephric carcinoma patients: A population‐based analysis and a case report
Authors: Li Zhuoran , Liu Dongyu , Wei Wenlong , Huang Zhisheng , Mo Yuzhen , Huang Haowei 
Published: November 2023

AbstractBackgroundMesonephric carcinoma (MC) is a very rare tumor with less than 70 cases had been reported. The rarity of MC has restricted its research, resulting in the lack of published guidelines.ObjectiveTo summarize the characteristics and construct an external‐validated nomogram to predict the survival of MC patients.MethodSixty‐four qualified patients derived from the Surveillance, Epidemiology, and End Results Plus database, and one patient from the Guangzhou Red Cross Hospital were enrolled. The entire cohort was randomly divided into a development (70%) and a validation cohort (30%). The Kaplan–Meier method and univariate and multivariate Cox regression analyses were applied. Two nomograms were established to predict the 3‐to‐8‐year survival probability of MC patients, which were evaluated by C‐index, ROC curves, DCA curves, and calibration plots.ResultsThe average survival time of MC patients was 84.22 ± 50.66 months. No significant difference was shown among different groups of race, primary site, tumor differentiated grade, and FIGO stages, while different SEER stages did distinguish patients' survival time, which indicated that the SEER stage standards might be a better staging system in the MC patients than FIGO stage (p = .0835). Additional survival analyses showed that MC patients benefited from shorter waiting times to begin treatment, accepting surgery, regional lymph node examination, radiotherapy, and chemotherapy. Two nomograms were established, both of which got satisfied scores in C‐index, ROC curves, DCA curves, and calibration plots.ConclusionSufficient regional lymph nodes examined, and applying radiotherapy in high‐risk patients are recommended in MC patients. Nomograms established in the present study had good predicting and discriminating capabilities, which would be helpful in patients' individual risk estimation, management, counseling, and follow‐up.
Cycle‐Consistent Generative Adversarial Network and Crypto Hash Signature Token‐based Block chain Technology for Data Aggregation with Secured Routing in Wireless Sensor Networks
Authors: Janarthanan Ashwinth , Vidhusha Vidhusha 
Published: November 2023

SummaryA fundamental component of Wireless Sensor Networks (WSN) is routing, because it is responsible for data transmission to the base stations (BS). Routing attacks are attacks that have the ability to interfere with the operation of WSN. A reliable routing system is needed for guaranteeing routing security including WSN effectiveness. Many studies have been conducted to improve trust among routing nodes, cryptographic algorithms and centralized routing decisions. Nevertheless, most of the routing techniques are not practical because it is challenging to detect suspicious actions of routing nodes. Generally, there is lack of reliable technique for preventing malicious node attacks. Therefore in this manuscript, Cycle‐Consistent Generative Adversarial Network (CCGAN) optimized with Ebola Optimization Search Algorithm (EOSA) and Crypto Hash Signature (CHS) Token‐based Block chain (BC) Technology for Data Aggregation with Secured Routing in Wireless Sensor Networks (SR‐CCGAN‐EOSA‐BDA‐WSN) is proposed for data aggregation with secured optimum routing in WSN. The proposed methodology uses a Proof of Authority (PoA) method in the block chain network to authenticate the process of node transmission. A Cycle‐Consistent Generative Adversarial Network optimized with the Ebola optimization algorithm methodology (CCGAN‐EOSA) is used to select the validation group required for proofing and select the proper next hop as a forwarding node proficient of securely and easily transmitting messages. The performance metrics, like delay, average latency with energy consumption, block chain token transactions throughput is analyzed. The performance of SR‐CCGAN‐EOSA‐BDAWSN proposed method provides 76.26%, 65.57%, and 42.9% lesser delay under 30% spiteful routing environment; 73.06% are compared with existing methods.
Digital phenotyping: An equal opportunity approach to reducing disparities in Alzheimer's disease and related dementia research
Authors: Britton Gabrielle B. , Huang Li‐Kai , Villarreal Alcibiades E. , Levey Allan , Philippakis Anthony , Hu Chaur‐Jong , Yang Cheng Chang , Mushi Declare , Oviedo Diana C. , Rangel Giselle , Ho Jor Sam , Thompson Louisa , Khemakhem Mahdi , Ross Makayla , Carreira María B. , Kim Nicole , Joung Philip , Albastaki Omar , Kuo Po Chih , Low Spencer , Paddick Stella‐Maria , Kuan Yi‐Chun , Au Rhoda 
Published: November 2023

AbstractA rapidly aging world population is fueling a concomitant increase in Alzheimer's disease (AD) and related dementias (ADRD). Scientific inquiry, however, has largely focused on White populations in Australia, the European Union, and North America. As such, there is an incomplete understanding of AD in other populations. In this perspective, we describe research efforts and challenges of cohort studies from three regions of the world: Central America, East Africa, and East Asia. These cohorts are engaging with the Davos Alzheimer's Collaborative (DAC), a global partnership that brings together cohorts from around the world to advance understanding of AD. Each cohort is poised to leverage the widespread use of mobile devices to integrate digital phenotyping into current methodologies and mitigate the lack of representativeness in AD research of racial and ethnic minorities across the globe. In addition to methods that these three cohorts are already using, DAC has developed a digital phenotyping protocol that can collect ADRD‐related data remotely via smartphone and/or in clinic via a tablet to generate a common data elements digital dataset that can be harmonized with additional clinical and molecular data being collected at each cohort site and when combined across cohorts and made accessible can provide a global data resource that is more racially/ethnically represented of the world population.