bluuebunny/crossref_metadata_2025 huggingface dataset:
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph‐Based Deep Learning
Authors: Min Yaosen , Wei Ye , Wang Peizhuo , Wang Xiaoting , Li Han , Wu Nian , Bauer Stefan , Zheng Shuxin , Shi Yu , Wang Yingheng , Wu Ji , Zhao Dan , Zeng Jianyang
Published: August 2024

Accurate prediction of protein‐ligand binding affinities is an essential challenge in structure‐based drug design. Despite recent advances in data‐driven methods for affinity prediction, their accuracy is still limited, partially because they only take advantage of static crystal structures while the actual binding affinities are generally determined by the thermodynamic ensembles between proteins and ligands. One effective way to approximate such a thermodynamic ensemble is to use molecular dynamics (MD) simulation. Here, an MD dataset containing 3,218 different protein‐ligand complexes is curated, and Dynaformer, a graph‐based deep learning model is further developed to predict the binding affinities by learning the geometric characteristics of the protein‐ligand interactions from the MD trajectories. In silico experiments demonstrated that the model exhibits state‐of‐the‐art scoring and ranking power on the CASF‐2016 benchmark dataset, outperforming the methods hitherto reported. Moreover, in a virtual screening on heat shock protein 90 (HSP90) using Dynaformer, 20 candidates are identified and their binding affinities are further experimentally validated. Dynaformer displayed promising results in virtual drug screening, revealing 12 hit compounds (two are in the submicromolar range), including several novel scaffolds. Overall, these results demonstrated that the approach offer a promising avenue for accelerating the early drug discovery process.
A Polymeric Two‐in‐One Electron Transport Layer and Transparent Electrode for Efficient Indoor All‐Organic Solar Cells
Authors: Liu Tiefeng , Beket Gulzada , Li Qifan , Zhang Qilun , Jeong Sang Young , Yang Chi‐Yuan , Huang Jun‐Da , Li Yuxuan , Stoeckel Marc‐Antoine , Xiong Miao , van der Pol Tom P. A. , Bergqvist Jonas , Woo Han Young , Gao Feng , Fahlman Mats , Österberg Thomas , Fabiano Simone
Published: August 2024

Transparent electrodes (TEs) are vital in optoelectronic devices, enabling the interaction of light and charges. While indium tin oxide (ITO) has traditionally served as a benchmark TE, its high cost prompts the exploration of alternatives to optimize electrode characteristics and improve device efficiencies. Conducting polymers, which combine polymer advantages with metal‐like conductivity, emerge as a promising solution for TEs. This work introduces a two‐in‐one electron transport layer (ETL) and TE based on films of polyethylenimine ethoxylated (PEIE)‐modified poly(benzodifurandione) (PBFDO). These PEIE‐modified PBFDO layers exhibit a unique combination of properties, including low sheet resistance (130 Ω sq−1), low work function (4.2 eV), and high optical transparency (>85% in the UV–vis‐NIR range). In contrast to commonly used poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), the doping level of PBFDO remains unaffected by the PEIE treatment, as verified through UV–vis‐NIR absorption and X‐ray photoelectron spectroscopy measurements. When employed as a two‐in‐one ETL/TE in organic solar cells, the PEIE‐modified PBFDO electrode exhibits performance comparable to conventional ITO electrodes. Moreover, this work demonstrates all‐organic solar cells with record‐high power conversion efficiencies of >15.1% under indoor lighting conditions. These findings hold promise for the development of fully printed, all‐organic optoelectronic devices.
Breathable, Adhesive, and Biomimetic Skin‐Like Super Tattoo
Authors: Li Chuqi , Tan Zhiyuan , Shi Xiaohu , Song Dekui , Zhao Yan , Zhang Yan , Zhao Zihan , Zhang Weifeng , Qi Jiongyang , Wang Yifang , Wang Xin , Tan Zhenquan , Liu Nan
Published: August 2024

Electronic tattoo, capable of imperceivably acquiring bio‐electrical signals from the body, is broadly applied in healthcare and human‐machine interface. Tattoo substrate, the foundation of electronic tattoo, is expected to be mechanically mimetic to skin, adhesive, and breathable, and yet remains highly challenging to achieve. Herein, the study mimics human skin and design a breathable, adhesive, and mechanically skin‐like super tattoo substrate based on an ultra‐thin film (≈2 µm). Similar to skin, super tattoo demonstrates strain‐adaptive stiffening properties with high tear energy (5.4 kJ·m−2) and toughness (1.3 MJ·m−3). Superior to skin, it exhibits high adhesion, ionic conductivity, and permeability. A variety of conductive electrodes can be processed on it, showing the universality toward an ideal platform for electronic tattoo with stable and low contact impedance. Super tattoo‐based electrodes can imperceivably and accurately monitor weak electromyography (EMG) of swallowing on the junction, providing effective guidance for rehabilitation training of dysphagia.
Incident Angle Sensing and Adaptive Control of Scattering by Intelligent Metasurface
Authors: Liu Yong Han , Li Xu Hang , Zhang Ze Tong , Qi Kai Nan , Lu Lan , Wang Shi Yu , Li Yun Bo
Published: August 2024

The passive sensing and active control of electromagnetic (EM) waves have always been attractive in electronic and information areas, especially during the intelligent era. Here a new method is presented to achieve the angle sensing of incident wave and adaptive control of backward scattering using the intelligent metasurface. The proposed unit cells have the ability to dynamically manipulate the receiving and reflection of the EM energy respectively. The angle sensing of incident waves can be actualized using the method of compressive sensing based on multiple receiving patterns, which are generated by randomly switching the receiving and reflection states of the unit cells. Afterward, the customized performances of backward scattering waves according to the cognitive incident angle can be realized by controlling the programmable reflective phases of unit cells correspondingly. One prototype composed of the metasurface and the module for sensing and adaptive feedback control is fabricated. The whole intelligent metasurface with customizing the function of retro‐reflection or low scattering is measured without human intervention and the good results acquired can verify the validity of the proposed concept and design.
Tailoring the interfacial microenvironment by electrolyte engineering boosts bicarbonate electrolysis
Authors: Lin Jiahui , Sheng Xuedi , Ge Wangxin , Dong Lei , Zhang Wenfei , Yang Xiaoling , Shen Jianhua , Jiang Hongliang , Li Chunzhong
Published: August 2024

Bicarbonate electrolysis, as a carbon utilization technology with high efficiency and potential for industrial applications, provides a promising pathway for CO2 emission reduction. However, how to inhibit serious hydrogen evolution reaction (HER) and increase the relatively low CO2 concentration at the electrode‐electrolyte interfacial is challenging. Here, we introduce three typical aminopolycarboxylic acids (APCAs) with different amounts of carboxylic acid roots into 3 M KHCO3 to enhance the Faradaic efficiency of CO (FECO) from 51.2% to 68.0% at 100 mA cm−2. Spectroscopic characterization confirms that the role of APCAs in confining the activity of water dissociation and improving the availability of CO2. The strategy adopted in this work that introducing APCAs into the electrolyte to balance the content of CO2 and H2O for improving the electrocatalytic performance, can serve as a reference for other electrocatalytic systems.
Posttraumatic stress disorder increases thrombosis risk: Evidence from a biobank data set
Authors: Chong Lau Hui , Sinnott Sinead M. , Abohashem Shady , Civieri Giovanni , Aldosoky Wesam , Karam Krystel , Khalil Maria , Qamar Iqra , Rosovsky Rachel P. , Osborne Michael T. , Tawakol Ahmed , Seligowski Antonia V.
Published: August 2024

Depression and anxiety are linked to deep venous thrombosis (DVT) and posttraumatic disorder (PTSD) increases risk of venous thromboembolism in women. However, the mechanisms underlying this relationship remain unknown. We hypothesized that PTSD would associate with increased DVT risk, that neuroimmune mechanisms would mediate the PTSD‐DVT link, and that these associations would be stronger in women. This cohort study included N = 106 427 participants from a large biobank. PTSD and DVT were defined using ICD‐10 codes. A subset (N = 1520) underwent imaging, from which we assessed stress‐associated neural activity (SNA). High‐sensitivity C‐reactive protein (hs‐CRP) levels and heart rate variability (HRV) were used as indicators of systemic inflammation and autonomic activity, respectively. Linear, logistic, and Cox regressions and mediation analyses were used to test our hypotheses. Of 106 427 participants, 4192 (3.9%) developed DVT. PTSD associated with increased DVT risk (HR [95% CI]: 1.66 [1.34, 2.07], p < .001), and this finding remained significant after adjustment for age, sex, and traditional DVT risk factors. When analyzed separately by sex, PTSD was significantly associated with DVT risk in women but not men. Further, heightened SNA and lower HRV mediated the effect of PTSD on DVT risk. Results suggest that individuals with PTSD are at increased risk for DVT, and that risk is higher in women. This relationship was partially driven by alterations in stress‐associated neural activity and autonomic function, suggesting potential targets for preventive therapies. Future studies are needed to investigate whether intervening on PTSD‐DVT mechanisms has downstream beneficial effects on DVT, especially among women.
Facile and Low‐Cost Electrochemical Synthesis of Zinc Alginate Hydrogel Films for Biomedical Applications
Authors: Rupar Jelena , Marković Mihajlo , Božić Dragana , Antić‐Stanković Jelena , Mijailović Nataša R. , Gavrilov Nemanja , Bajuk‐Bogdanović Danica , Milojević‐Rakić Maja , Janošević Ležaić Aleksandra
Published: August 2024

Electrochemical synthesis and characterization of Zn‐alginate hydrogel films and their antioxidant and antimicrobial activity are evaluated. Swelling properties, zinc concentration and spectroscopic and morphological features were characterized and related to their antimicrobial and antioxidant activity. These results indicate a dependence of swelling on the degree of cross‐linking, which, in turn, can be adjusted by manipulating the synthesis time, initial alginate concentration and/or zinc leaching. Hydrogel films with zinc showed remarkable antibacterial properties, especially against gram‐positive bacteria. The absence of Zn resulted in less inhibition of gram‐positive strains, although it had a positive effect on the inhibition of gram‐negative strains, which was attributed to the degradation of alginate chains, affecting cell metabolism. Nitrogen‐doped samples synthesized in rivanol‐containing solution exhibited globular morphology and higher antioxidant activity. The electrochemical synthesis enables the facile preparation of highly active alginate hydrogels for biomedical applications.
Extensive characterization of optimally treated Licuala grandis leaf sheath fiber for possible bio‐reinforcement in polymer composites
Authors: Selvanayagam Lillypushpam Beschi Selvan , Sagai Francis Britto Antony , Brailson Mansingh Bright , Binoj Joseph Selvi
Published: August 2024

The comprehensive characteristics of an ecologically viable cellulosic fiber from the leaf sheath of Licuala grandis L tree are alkaline modified and investigated in this study. The percentage of cellulose in ideally alkali‐modified Licuala grandis leaf sheath fiber (IALGLSF) increased by 15.8% following a 1 h treatment with a 5% (w/v) alkali buffer. Comparing IALGLSF to raw Licuala grandis leaf sheath fiber (LGLSF), an individual strand tensile testing revealed a 13.2% rise in tensile characteristics. Crystallinity index (CI) analysis using x‐ray diffraction (XRD) showed that IALGLSF had a 12.5% greater CI over LGLSF. Also, Fourier transform infrared spectroscopy (FTIR) experiments validated partial removal of noncrystalline constituents from IALGLSF as a consequence of alkali alteration. Additionally, thermogravimetric (TGA‐DTG) study, which is supported by differential scanning calorimetry (DSC) inquiry, demonstrated that alkali alteration‐enhanced IALGLSF's thermal resistance from 223 to 229°C. Similarly, scanning electron microscopy (SEM) has shown that rougher surface appearance of IALGLSF results from selective removal of noncrystalline constituents, which also provides better matrix contact during reinforcement for the production of eco‐friendly composites. The indicated outcomes validated that IALGLSF serves as a beneficial substitute for potentially harmful synthetic fibers in the production of sustainable biocomposites.
Removal of Acid Orange 7 dye using Makgeolli lees with ultrasonic assistance
Authors: Van Kien Nguyen , Kim Sunghwan , Ryoo Jae Jeong
Published: August 2024

This study investigated the efficient removal of Acid Orange 7 (AO7) dye in water by using Makgeolli lees, a popular by‐product obtained during the production of traditional Makgeolli beverages in Korea. By incorporating ultrasound, the effects of contact time, Makgeolli lees dosage, initial AO7 dye concentration, and initial pH of the dye solution were investigated and comprehensively compared with the same experiment using the stirring method. The results consistently showed ultrasound not only enhances the excellent adsorption ability of Makgeolli lees but also accelerates the process compared to the stirring method. The Langmuir isotherm model best described the adsorption process for both methods, suggesting monolayer adsorption on the surface of Makgeolli lees, with maximum capacities of 25.13 mg/g for ultrasound at 40 kHz and 20.41 mg/g for stirring methods. Furthermore, the study showed that optimal dye removal efficiency can be achieved with ultrasound conditions at 28 kHz frequency, 125 W/L power density, and 100% ultrasound intensity. This research promises that the integration of low‐cost biomass coupled with ultrasound could provide a potential solution for dye wastewater treatment.
Distinct latitudinal patterns of shifting spring phenology across the Appalachian Trail Corridor
Authors: Tourville Jordon C. , Murray Georgia L. D. , Nelson Sarah J.
Published: August 2024

Warming associated with climate change will advance the onset of spring phenology for many forest plants across the Eastern United States. Understory forbs and spring ephemerals that fix a disproportionate amount of carbon during early spring may be negatively affected by earlier canopy closure; however, information on the spatial patterns of phenological change for these communities is still lacking. To assess the potential for changes in spring phenological windows, we synthesized observations from the Appalachian Mountain Club's (AMCs) Mountain Watch (MW) project, the National Phenology Network (NPN), and AMC's iNaturalist projects between 2004 and 2022 (n = 118,250) across the length of the Appalachian Trail (AT) Corridor (34° N–46° N latitude). We used hierarchical Bayesian modeling to examine the sensitivity of spring flowering and leaf‐out for 11 understory species and 14 canopy tree species to mean spring temperature (April–June). We conducted analyses across the AT Corridor, partitioned by regions of 4° latitude (south, mid‐Atlantic, and north). Spring phenologies for both understory plants and canopy trees advanced with warming (~6 and ~3 days/°C, respectively). However, the sensitivity of each group varied by latitude, with the phenology of trees and understory plants advancing to a greater degree in the mid‐Atlantic region (~10 days/°C) than in the southern or northern regions (~5 days/°C). While we find evidence that phenological windows remain stable in the southern and mid‐Atlantic portions of the AT, we observed an expansion of the spring phenological window in the north where there was greater understory forb temperature sensitivity compared with trees (~2.7 days/°C). Our analyses indicate the differential sensitivity of forest plant phenology to potential warming across a large latitudinal gradient in the Eastern United States. Further, evidence for a temperature‐driven expansion of the spring phenological window suggests a potential beneficial effect for understory plants in the northern AT, although phenological mismatch with potential pollinators and increased vulnerability to late winter frosts are possible. Using extensive citizen‐science datasets allows us to synthesize regional‐ and continental‐scale data to explore spatial and temporal trends in spring phenology related to warming. Such data can help to standardize approaches in phenological research and its application to forest climate resiliency.
AOP Report: An Upstream Network for Reduced Androgen Signaling Leading to Altered Gene Expression of Androgen Receptor–Responsive Genes in Target Tissues
Authors: Draskau Monica K. , Rosenmai Anna K. , Bouftas Nora , Johansson Hanna K. L. , Panagiotou Eleftheria M. , Holmer Marie L. , Elmelund Emilie , Zilliacus Johanna , Beronius Anna , Damdimopoulou Pauliina , van Duursen Majorie , Svingen Terje
Published: August 2024

Adverse outcome pathways (AOPs) can aid with chemical risk assessment by providing plausible links between chemical activity at the molecular level and effect outcomes in intact organisms. Because AOPs can be used to infer causality between upstream and downstream events in toxicological pathways, the AOP framework can also facilitate increased uptake of alternative methods and new approach methodologies to help inform hazard identification. However, a prevailing challenge is the limited number of fully developed and endorsed AOPs, primarily due to the substantial amount of work required by AOP developers and reviewers. Consequently, a more pragmatic approach to AOP development has been proposed where smaller units of knowledge are developed and reviewed independent of full AOPs. In this context, we have developed an upstream network comprising key events (KEs) and KE relationships related to decreased androgen signaling, converging at a nodal KE that can branch out to numerous adverse outcomes (AOs) relevant to androgen-sensitive toxicological pathways. Androgen signaling represents an extensively studied pathway for endocrine disruption. It is linked to numerous disease outcomes and can be affected by many different endocrine-disrupting chemicals. Still, pathways related to disrupted androgen signaling remain underrepresented in the AOP-wiki, and endorsed AOPs are lacking. Given the pivotal role of androgen signaling in development and function across vertebrate taxa and life stages of both sexes, this upstream AOP network serves as a foundational element for developing numerous AOPs. By connecting the upstream network with various downstream AOs, encompassing different species, it can also facilitate cross-species extrapolations for hazard and risk assessment of chemicals. Environ Toxicol Chem 2024;43:2329–2337. © 2024 The Author(s). Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Alleviating hedonic adaptation in repeat consumption with creative thinking
Authors: You Yanfen (Cindy) , Wang Lili , Yang Xiaojing , Wen Na
Published: August 2024

Repeat consumption, a common aspect of consumers' daily lives, often results in hedonic adaptation such as satiation or boredom. In line with a growing body of research exploring methods to alleviate hedonic adaptation, this research proposes and finds that creative thinking can effectively reduce hedonic adaptation. Through five experiments conducted across various consumption contexts (music listening, video watching, photograph viewing, snack eating), we show that creative thinking reduces hedonic adaptation by fostering cognitive flexibility during repeat consumption (e.g., enjoying the same photograph from different aspects across repetitions). Supporting this underlying mechanism, the mitigating effect of creative thinking on hedonic adaptation attenuates when consumers' cognitive flexibility is constrained, or when the product itself possesses sufficient complexity that naturally encourages cognitive flexibility over repetitions. Overall, this research sheds light on how creative thinking helps alleviate hedonic adaptation in repeat consumption, with implications for marketing managers and practitioners.
Inpatients' understanding of the hospitalist role and common medical terminology
Authors: Curatola Nicole , Juergens Nathan , Atkinson Mariam K. , Schnipper Jeffrey L. , Weiss Rachel , Cohen Erin Y. , Cimino Jenica , To Clara , Bambury Elizabeth A. , Barkoudah Ebrahim , Mani Sampathkumar , Khalil Hassan , Mora Rosa , Maru Johsias , Harrison James D.
Published: August 2024

Many patients are unable to identify members of their hospital care team and experience confusion regarding some medical terminology used during hospitalization, including descriptions of the structure of their inpatient care team. This cross‐sectional study sought to (1) examine inpatients' understanding of the role of a hospitalist and (2) assess inpatients' familiarity with other medical terminology commonly used in the hospital. We surveyed 172 patients admitted to the hospital medicine service at two academic medical centers. We found that almost half (47%) of respondents were unfamiliar with the term and/or role of a hospitalist, while the remaining patients had varied understanding of the role. Several other medical terms were frequently misunderstood (such as “NPO,” “PA,” and “Attending”). Ongoing efforts are needed to improve communication to ensure that hospitalized patients understand the hospitalist's role and the medical terms shared with them.
Quantitative Analysis of Small Intestinal Motility in 3D Cine‐MRI Using Centerline‐Aware Motion Estimation
Authors: van Harten Louis D. , de Jonge Catharina S. , Struik Femke , Stoker Jaap , Išgum Ivana
Published: August 2024

Background

Currently available tools for noninvasive motility quantification of the small intestine are limited to dynamic 2D MRI scans, which are limited in their ability to differentiate between types of intestinal motility.

Purpose

To develop a method for quantification and characterization of small intestinal motility in 3D, capable of differentiating motile, non‐motile and peristaltic motion patterns.

Study Type

Prospective.

Subjects

Fourteen healthy volunteers (127 small intestinal segments) and 10 patients with Crohn's disease (87 small intestinal segments).

Field Strength/Sequence

3.0 T, 3D balanced fast field echo sequence, 1 volume per second.

Assessment

Using deformable image registration between subsequent volumes, the local velocity within the intestinal lumen was quantified. Average velocity and average absolute velocity along intestinal segments were used with linear classifiers to differentiate motile from non‐motile intestines, as well as erratic motility from peristalsis. The mean absolute velocity of small intestinal content was compared between healthy volunteers and Crohn's disease patients, and the discriminative power of the proposed motility metrics for detecting motility and peristalsis was determined. The consensus of two observers was used as referenced standard.

Statistical Tests

Student's t‐test to assess differences between groups; area under the receiver operating characteristic curve (AUC) to assess discriminative ability. P < 0.001 was considered significant.

Results

A significant difference in the absolute velocity of intestinal content between Crohn's patients and healthy volunteers was observed (median [IQR] 1.06 [0.61, 1.56] mm/s vs. 1.84 [1.37, 2.43] mm/s), which was consistent with manual reference annotations of motile activity. The proposed method had a strong discriminative performance for detecting non‐motile intestines (AUC 0.97) and discernible peristalsis (AUC 0.81).

Data Conclusion

Analysis of 3D cine‐MRI using centerline‐aware motion estimation has the potential to allow noninvasive characterization of small intestinal motility and peristaltic motion in 3D.

Evidence Level

3

Technical Efficacy

Stage 2
Numerical solution of fractal‐fractional differential equations system via Vieta‐Fibonacci polynomials fractal‐fractional integral operators
Authors: Rahimkhani Parisa , Ordokhani Yadollah , Sabermahani Sedigheh
Published: August 2024

The main idea of this work is to present a numerical method based on Vieta‐Fibonacci polynomials (VFPs) for finding approximate solutions of fractal‐fractional (FF) pantograph differential equations and a system of differential equations. Although the presented scheme can be applied to any fractional integral, we focus on the Caputo, Atangana‐Baleanu, and Caputo‐Fabrizio integrals with due to their privileges. To carry out the method, first, we introduce FF integral operators in the Caputo, Atangana‐Baleanu, and Caputo‐Fabrizio senses. Then, by applying the Vieta‐Fibonacci polynomials and their FF integral operators together with the collocation method, the problem becomes reduced to a system of algebraic equations that can be solved by Mathematical software. In the presented scheme, acceptable approximate solutions are achieved by employing only a few number of the basic functions. Moreover, the error analysis of the presented method is investigated. Finally, the accuracy of the presented method is examined through the numerical examples. The proposed scheme is implemented for some famous systems of FF differential equations, such as memristor, which is a fundamental circuit element so called universal charge‐controlled mem‐element, convective fluid motion in rotating cavity, and Lorenz chaotic system.
Cloning, purification, and functional characterization of recombinant pullulanase from Bacillus cereusATCC 14579 for improved detergent performance
Authors: Zafar Asma , Masood Ammara , Rahman Ziaur , Hamid Attia , Javed Mah Hoor , Zulfiqar Amna , Fatima Samreen , Makhdoom Madood , Aftab Muhammad Nauman
Published: August 2024

The present study outlines the approach that was employed for cloning, expression, and characterization of the recombinant pullulanase enzyme from Bacillus cereus ATCC 14579 into Escherichia coli BL21(DE3) using pET‐25b (+) expression vector. The recombinant pullulanase enzyme was purified using ammonium sulfate precipitation and immobilized metal ion affinity chromatography (IMAC). The molecular mass of the purified pullulanase enzyme was measured using sodium dodecyl sulfate‐polyacrylamide gel electrophoresis (SDS‐PAGE) as 95 kDa. The purified recombinant pullulanase enzyme demonstrated significant thermal stability, maintaining its structural integrity and functionality at temperatures as high as 90°C over a period of 4 h. The inclusion of divalent metal ions, specifically Ca2+ and Mg2+, had a positive effect on the activity of the pullulanase enzyme. Conversely, the presence of Co2+ and EDTA (Ethylene Diamine Tetra Acetic acid) resulted in suppression of the enzyme activity. The purified pullulanase enzyme demonstrated remarkable resistance when exposed to organic solvents. The enzyme activity was notably decreased in the presence of SDS (Sodium Dodecyl Sulfate) while β‐mercaptoethanol and tween‐60 did not substantially affect the enzyme activity and stability which suggest its potential applicability in the detergent sector. This discovery indicates a potential approach to improve the effectiveness of currently available detergents in the marketplace.
What I was thinking/what I would do differently: Biological markers and mechanisms of mental health
Authors: Andero Raül , Jovanovic Tanja , Stein Murray B. , Shalev Arieh Y.
Published: August 2024

At the 39th meeting of the International Society of Traumatic Stress Studies, four leading scientists and clinicians were invited to reflect on their careers, focusing on the biological mechanisms and markers of traumatic stress. Dr. Raul Andero has contributed to understanding how stress alters memory networks in the brain, influencing the development of novel treatments. Dr. Tanja Jovanovic has pioneered the measurement and mechanistic understanding of fear learning, bridging basic and clinical research. Dr. Murray B. Stein has scaled up clinical and lab observations to large populations, refining the field's understanding of traumatic stress. Dr. Arieh Y Shalev has shaped the definition of traumatic stress, pioneering the longitudinal investigation of stress and integrating advanced computational methods to identify individuals at risk. These panelists were asked to reflect on their initial problems, ambitions, concerns, and unexpected challenges, as well as the influence of their work, on new research trajectories. Their insights provide valuable lessons about the process and content of their work, and their pioneering efforts have significantly advanced our understanding of the biological mechanisms and markers of traumatic stress.
Poly(ethylene‐glycol)‐Dimethacrylate (PEGDMA) Composite for Stereolithographic Bioprinting
Authors: Chang Shu‐Yung , Lee Joseph Zhi Wei , Sargur Ranganath Anupama , Ching Terry , Hashimoto Michinao
Published: August 2024

Recent progress in additive manufacturing has enabled the application of stereolithography (SLA) in bioprinting to produce 3D biomimetic structures. Bioinks for SLA often require synthetic polymers as supplements to ensure the structural integrity of the printed cell‐laden constructs. High molecular weight (MW) poly(ethylene‐glycol)‐diacrylate (PEGDA) (MW ≥ 3400 Da) is commonly used to enhance the mechanical property of crosslinked hydrogels. However, the production of bioink with high MW PEGDA requires in‐house polymer synthesis or the acquisition of costly reagents, which may not be readily available in all laboratory settings. As an alternative to high MW PEGDA, this research investigated the use of poly(ethylene‐glycol)‐dimethacrylate (PEGDMA) (MW = 1000 Da) as a supplement of a bioink to enhance the mechanical properties of the SLA‐printed constructs. The successful demonstration showcases 1) the fabrication of 3D constructs with overhang and complex architecture, and 2) the cytocompatibility, with high cell viability of 71–87% over 6 days of culture, of the GelMA‐PEGDMA bioink to enable cell‐laden bioprinting. This study suggests PEGDMA as a viable supplement in the formulation of SLA bioink. The accessibility to PEGDMA will facilitate the advance in 3D bioprinting to fabricate complex bioinspired structures and tissue surrogates for biomedical applications.
Solving generalized nonlinear functional integral equations with applications to epidemic models
Authors: Halder Sukanta , Vandana  , Deepmala
Published: August 2024

In this article, we investigate the existence and uniqueness of solutions to a generalized nonlinear functional integral equation (G‐NLFIE) associated with certain epidemic models of infectious diseases, defined within the Banach space
. Our existence results include several specific cases of nonlinear functional integral equations that commonly occur in nonlinear sciences. We then introduce an iterative algorithm that combines Adomian's decomposition method (ADM) with the modified homotopy perturbation method (mHPM) to approximate solutions to the G‐NLFIE. The paper addresses the convergence properties and error analysis of this method. Finally, we present numerical examples to demonstrate the effectiveness and efficiency of our proposed approach.
Time delays in a double‐layered radial tumor model with different living cells
Authors: Liu Yuanyuan , Zhuang Yuehong
Published: August 2024

This paper deals with the free boundary problem for a double‐layered tumor filled with quiescent cells and proliferating cells, where time delay
in cell proliferation is taken into account. These two types of living cells exhibit different metabolic responses and consume nutrients
at different rates
and
(
). Time delay happens between the time at which a cell commences mitosis and the time at which the daughter cells are produced. The problem is reduced to a delay differential equation on the tumor radius
over time, and the difficulty arises from the jump discontinuity of the consumption rate function. We give rigorous analysis on this new model and study the dynamical behavior of the global solutions for any initial
.
Q&A: 5 questions with Lisa Weinberger
Authors: Talarico Donna
Published: August 2024

In our recurring “5 questions with” series, the Recruiting and Retaining Adult Learners marketing column profiles a communications professional through a brief Q&A. This month, we introduce you to Lisa Weinberger, search engine optimization manager at University of Maryland Global Campus.
Lessons we can learn from Taylor Swift
Authors: Hodges Dawn Z.
Published: August 2024

According to a song on Taylor Swift's new album “The Tortured Poet's Department,” the answer to the question “Who's afraid of little old me?” is “Well, you should be.” Whether you love her or hate her (or feel completely indifferent), she is a force to be reckoned with.
Enhanced Efficiency and Stability for the Inverted High‐Bandgap Perovskite Solar Cell via Bottom Passivation Strategy
Authors: Chang Li‐Chun , Dinh Bui Anh , Huang Keqing , Kremer Felipe , Brink Frank , Wang Wei , Haggren Anne , Mayon Azul Osorio , Ta Xuan Minh Chau , Duan Leiping , Lem Olivier Lee Cheong , Hou Yihui , Nguyen Dang‐Thuan , Tabi Grace Dansoa , Zhan Hualin , Ahmad Viqar , Duong The , white Thomas , Walter Daniel , Weber Klaus , Catchpole Kylie , Shen Heping
Published: August 2024

The bottom perovskite with the hole transport layer (HTL) in inverted perovskite solar cells (PSCs) interface has received little attention due to challenges like interlayer dissolution during perovskite deposition. And voids at the perovskite/HTL interface can degrade cell performance. This work introduces a two‐dimensional (2D) perovskite layer between the perovskite and poly (N, N′‐bis‐4‐butylphenyl‐N, N′‐bisphenyl) benzidine (Poly‐TPD) HTL using a mixed solution of 4‐methylphenethylammonium chloride (4M‐PEA‐Cl), methylammonium iodide (MA‐I), and Poly(9,9‐bis(3′‐(N,N‐dimethyl)‐N‐ethylammoinium‐propyl‐2,7‐fluorene)‐alt‐2,7‐(9,9‐dioctylfluorene))dibromide (PFN‐Br). The amine functional groups in the organic salts improved HTL wettability, resulting in a void‐free interface. 4M‐PEA‐Cl, with its strong electron‐withdrawing benzene ring, outperformed other amine‐containing salts in passivating undercoordinated Pb2+ ions. Incorporating this hybrid passivation layer in PSCs resulted in a 1.8% absolute increase in power conversion efficiency (PCE) to 19.1% with 1.68 eV perovskite bandgap. Additionally, the passivated PSCs demonstrated enhanced operational stability, retaining 91% of their initial efficiency after 800 hours of continuous 1‐sun illumination, compared to 84.7% for the control sample.
Green IT: The Evolution of Environmental Concerns Within ICT Policy, Research and Practice
Authors: Fors Per , Kreps David , O’Brien Ann
Published: August 2024

This chapter delves into the environmental concerns associated with Information and Communications Technology (ICT) along its value chain, understood as the series of activities that need to be undertaken to produce, use and dispose of ICT. These activities have their respective challenges in terms of environmental sustainability, including greenhouse gas (GHG) emissions, pollution and waste. Furthermore, the chapter offers an overview of practices and discourses, particularly within the realm of information systems (IS), since the 1960s and onwards. It traces the evolution of the Green IT, a concept that originated in response to mounting environmental concerns and the widespread integration of ICT into various facets of society around the mid-2000s. The chapter explores the translation of Green IT, which was mainly concerned with the negative environmental impact of ICT, into Sustainable ICT, a broader concept imbued with more optimistic narratives about the environmental impact of ICT. Drawing from this extensive review, the chapter highlights emerging issues, such as the energy consumption of ICT with the advent of AI and cryptocurrencies, and a growing emphasis on repair and refurbishment. The authors then interpret the interest in these emerging issues as a renewed focus on mitigating the negative impacts of ICT within Sustainable ICT.
Integrating Digital and Sustainability Transformation Through Artificial Intelligence: A Framework for AI-enabled Twin Transformation
Authors: Crome Carlotta , Graf-Drasch Valerie , Oberländer Anna Maria , Seidel Stefan
Published: August 2024

“Twin Transformation” is characterised by synergistic leveraging of efforts towards digital and sustainability transformation. It relies on digital transformation to develop digital solutions that can improve sustainability and on sustainability transformation to provide the goals and insights that are required to design these digital solutions. This integrated approach uses data streams and the predictive and generative capabilities of systems enabled by Artificial Intelligence (AI). These systems help to overcome the boundaries of human rationality in addressing the complex problem space that exists at the intersection of digital and sustainability transformation. This chapter provides a framework for AI-enabled Twin Transformation and calls for a joint discourse to master what are arguably the two key transformations of this and the following decades.
Alters- und Geschlechterunterschiede
Authors: Julmi Christian , Eifert Anna , Dammert Jakob E. , Wittwer Sebastian
Published: August 2024

Wir analysieren Unterschiede in der Bedeutung der Merkmale und deren Zusammenhänge über die Altersgruppen und Geschlechter hinweg. Auffällig ist, dass für Frauen die Arbeitsatmosphäre der wichtigste Faktor ist und bei einer anhaltend schlechten Atmosphäre ihre Bereitschaft zu kündigen höher ist als die von Männern. Zudem sind sie unzufriedener mit der Arbeitsatmosphäre. Es zeigen sich erhebliche Unterschiede in Bezug auf die Zufriedenheit mit der Arbeitsatmosphäre über die Generationen hinweg.
Typen von Atmosphären
Authors: Julmi Christian , Eifert Anna , Dammert Jakob E. , Wittwer Sebastian
Published: August 2024

Im Fokus dieses Kapitels stehen verschiedene Typen von Atmosphären, die wir tendenziell in gut, neutral oder schlecht unterscheiden und deren Verbreitung wir untersuchen. Außerdem identifizieren wir Schlüsselfaktoren der Typen.
Management von Atmosphären
Authors: Julmi Christian , Eifert Anna , Dammert Jakob E. , Wittwer Sebastian
Published: August 2024

Die Studie zeigt eindeutige Indizien, dass der Handlungsbedarf zum Management von Atmosphären groß ist. Wir identifizieren Anhaltspunkte, die für die gezielte Gestaltung von Atmosphären von hoher Relevanz sind.
Recurrent neural networks as virtual cavity pressure and temperature sensors in high-pressure die casting
Authors: Rudack Maximilian , Rom Michael , Bruckmeier Lukas , Moser Mario , Pustal Björn , Bührig-Polaczek Andreas
Published: August 2024

High-pressure die casting (HPDC) is a permanent mold-based production technology that facilitates the casting of near net shape components from nonferrous alloys. The pressure and temperature conditions within the cavity impact the cast product quality during and after the conclusion of the die filling process. Die surface cavity sensors can deliver information describing the conditions at the die-casting interface. They are associated with high costs and limited service lifetimes below the achievable total cycle count of the die inserts and therefore ill-suited for industrial use cases. In this work, the suitability of long short-term memory (LSTM) recurrent neural networks (RNN) for substituting physical cavity temperature and pressure sensors virtually after the production ramp-up or at the end of the sensor service life is investigated. Training LSTMs with data of 233 casting cycles with different process parameters provides networks which are then applied to 99 further cycles. The prediction accuracy is investigated for different time interval lengths in the solidification and cooling phase. For longer time intervals, the cavity pressure prediction deteriorates, potentially due to a highly individual and hardly ascertainable buildup of casting distortion and internal stresses. Overall, however, the accuracy of the developed LSTMs is excellent for the cavity temperatures and good for the cavity pressures.
Chien-physics-informed neural networks for solving singularly perturbed boundary-layer problems
Authors: Wang Long , Zhang Lei , He Guowei
Published: August 2024

A physics-informed neural network (PINN) is a powerful tool for solving differential equations in solid and fluid mechanics. However, it suffers from singularly perturbed boundary-layer problems in which there exist sharp changes caused by a small perturbation parameter multiplying the highest-order derivatives. In this paper, we introduce Chien’s composite expansion method into PINNs, and propose a novel architecture for the PINNs, namely, the Chien-PINN (C-PINN) method. This novel PINN method is validated by singularly perturbed differential equations, and successfully solves the well-known thin plate bending problems. In particular, no cumbersome matching conditions are needed for the C-PINN method, compared with the previous studies based on matched asymptotic expansions.
Is there an association between mastitis and breast cancer? a retrospective cohort study from Germany
Authors: Krishnan Vedanth D. , Kostev Karel , Kalder Matthias
Published: August 2024

Purpose

The aim of the study was to explore the association between mastitis and subsequent breast cancer.

Methods

This retrospective cohort study included women aged ≥ 18 years with an initial mastitis diagnosis from 315 office-based gynecologists in Germany between January 2005 and December 2021. Women without mastitis were matched to women with mastitis using propensity score matching based on age, index year, average yearly consultation frequency during the follow-up period, and coexisting diseases such as obesity, benign mammary dysplasia, hypertrophy of the breast, unspecified lump of breast, and other disorders of the breast.

The 10-year cumulative incidence of breast cancer for the mastitis-cohort and non-mastitis-cohort was studied with Kaplan–Meier curves using the log-rank test. The association between mastitis and breast cancer was studied separately for four age groups with univariable Cox regression analyses.

Results

In the follow-up period of 7 months to 10 years after the index date, 2.9% of mastitis patients and 2.4% of matched non-mastitis patients were diagnosed with breast cancer. A Cox regression analysis revealed a significant association between mastitis and subsequent breast cancer (HR: 1.37; 95% CI: 1.11–1.70). According to the age-stratified analyses, a strong and significant association was only observed in the age group > 50 years (HR: 1.73; 95% 1.25–2.40).

Conclusion

The findings of our retrospective cohort study support an association between mastitis and subsequent breast cancer diagnoses in women aged > 50 years. The pathophysiological basis and possibility of confounders however requires further investigation.
Model-agnostic variable importance for predictive uncertainty: an entropy-based approach
Authors: Wood Danny , Papamarkou Theodore , Benatan Matt , Allmendinger Richard
Published: August 2024

In order to trust the predictions of a machine learning algorithm, it is necessary to understand the factors that contribute to those predictions. In the case of probabilistic and uncertainty-aware models, it is necessary to understand not only the reasons for the predictions themselves, but also the reasons for the model’s level of confidence in those predictions. In this paper, we show how existing methods in explainability can be extended to uncertainty-aware models and how such extensions can be used to understand the sources of uncertainty in a model’s predictive distribution. In particular, by adapting permutation feature importance, partial dependence plots, and individual conditional expectation plots, we demonstrate that novel insights into model behaviour may be obtained and that these methods can be used to measure the impact of features on both the entropy of the predictive distribution and the log-likelihood of the ground truth labels under that distribution. With experiments using both synthetic and real-world data, we demonstrate the utility of these approaches to understand both the sources of uncertainty and their impact on model performance.
The Camino de Santiago as a ‘Spiritual Journey’: A Contemporary Challenge to Religion?
Authors: Roszak Piotr , Mróz Franciszek
Published: August 2024

According to many surveys, the pilgrimage along the Way of St James (Camino de. Santiago) can lead to spiritual benefits, but there is some disagreement about this because these benefits can be associated with the pilgrim's motivation. This article presents a conceptual framework for understanding the phenomenon of pilgrimages to Compostela and their impact on human spiritual well-being. Many diaries mention various positive psychological effects from these trips, but they are presented in religious/spiritual dialectical tension. The article presents the classical concept of spirituality as related to the ability to transcend, and then classifies what is spiritual in the writings of some Polish pilgrims. In this way, conceptual precision will be offered, which is important for understanding the positive impact of pilgrimages on well-being and empowerment.
Green agro storage and electric vehicle integrated nano grid for rural livelihood improvement: a detailed review and case analysis
Authors: Nadimuthu Lalith Pankaj Raj , Victor Kirubakaran , Karthikeyan P. N. , Premkumar I. J. Isaac , Naavaneethakrishnan G. , Palanisamy R. , Saleel C. Ahamed , Ağbulut Ümit
Published: August 2024

Livelihood improvement in the rural areas is the key parameters to achieve the Sustainable Development Goals. This paper attempts the livelihood improvement in rural areas through green energy technologies. The manuscript comprises a detailed review of electric vehicles with unique features of micro cold storage and vehicle-to-grid technologies. A critical analysis of the intrinsic properties of thermoelectric cooler-based micro cold storage for better material selection, performance, and optimization techniques for effective electric vehicle integration is reported. The manuscript encapsulates the thermoelectric intrinsic parameters like Seebeck coefficient (S), electrical conductivity (σ), thermal conductivity (K), and figure of merit (ZT) parameters with coefficient of performance and cooling capacity (Q
C) for different types of thermoelectric modules. The review narrows down into suitable parameters for effective combined system design, such as optimal operating voltage (V
opt) and current (I
opt). The manuscript further reviewed and presented the V2G-enabled nanogrid, control, and grid integration techniques for better-integrated operation. This paper reported an experimental investigation on the designed and developed green agro storage integrated V2G enabled nano grid for a rural village in India. The case analysis was carried out by short distance agro produce transportation, decentralized DC–DC control, and phase-locked loop grid synchronization technique. The electrical, thermal and dynamic system characteristics study was carried out and reported. Also, the manuscript highlights the potential strengths, challenges, opportunities and research gaps for the stakeholders to build a sustainable future. The proposed combined system design will pave a sustainable pathway for achieving sustainable development goals.