bluuebunny/crossref_metadata_2025_split huggingface dataset:
Single‐Molecule Cross‐Plane Conductance of Polycyclic Aromatic Hydrocarbon Derivatives
Authors: Yang Zi‐Xian , Albalawi Shadiah , Zhao Shiqiang , Li Yao‐Guang , Zhang Hewei , Zou Yu‐Ling , Hou Songjun , Chen Li‐Chuan , Shi Jia , Yang Yang , Wu Qingqing , Lambert Colin , Hong Wenjing 
Published: June 2024

AbstractIn the cross‐plane single‐molecule junctions, the correlation between molecular aromaticity and conductance remained puzzling. Cross‐plane break junction (XPBJ) provides new insight into understanding the role of aromaticity and conjugation to molecules on charge transport through the planar molecules. In this work, we investigated the modulation of cross‐plane charge transport in pyrene derivatives by hydrogenation and substituents based on the XPBJ method that differs from those used in‐plane transport. We measured the electrical conductance of the hydrogenated derivatives of the pyrenes and found that hydrogenation reduces conductance, and the fully hydrogenated molecule has the lowest conductance. Conductance of pyrene derivatives increased after substitution by both electron‐donating and electron‐withdrawing groups. By calculating, the trend in decreased conductance of hydrogenated pyrene was found to be consistent with the change in aromaticity. Electron‐withdrawing substituents reduce the aromaticity of the molecule and narrow the HOMO‐LUMO gap, while electron‐donating groups increase the aromaticity but also narrow the gap. Our work reveals the potential of fine‐tuning the structure of the pyrene molecule to control the cross‐plane charge transport through the single‐molecule junctions.
One‐Pot Effective Approach to 2,5‐Diformylfuran From Carbohydrates Using MoS2‐Decorated Carbonaceous Sugarcane Bagasse
Authors: Hao Nguyen Trinh , Dinh Le Diep , Le Nguyen Dao Anh , Liang Chien‐Fu , Bich Phan Ha , Hoang Tran Phuong 
Published: June 2024

AbstractExploring the transformation of carbohydrates into valuable chemicals offers a promising and eco‐friendly method for utilizing renewable biomass resources. Developing a bi‐functional, sustainable heterogeneous catalyst is of utmost importance to attain a high level of selectivity for the desired product, 2,5‐diformylfuran (DFF), in this direct conversion process. In this study, we developed a highly effective catalytic system to convert diverse carbohydrates into DFF. Our approach involved utilizing a MoS2 catalyst supported by amorphous carbon derived from sulfonated sugarcane biomass. The MoS2@SBG‐SO3H composite was successfully synthesized using a facile and highly efficient method. The transformation of fructose into DFF achieved a significant yield of 70 % for 5 h at 160 °C using a one‐step and one‐pot reaction through dehydration and oxidation with oxygen. The oxidation of 5‐hydroxymethylfurfural (HMF) into DFF using MoS2@SBG‐SO3H was obtained at 94 % DFF within 5 h; the activation energy was 38.3 kJ . mol−1. The catalyst displayed convenient recovery and reusability. The direct synthesis of DFF from various carbohydrates, such as sucrose, glucose, maltose, and lactose, resulted in favorable yields. Our research provides a quick, green, and efficient process for preparing carbon‐based solid acid catalysts and DFF.
Development of fatigue prediction system for bogie frame using a dynamic analysis model based on high‐speed and high‐precision stress estimation method
Authors: Yamazaki Yosuke , Fujimoto Takahiro , Shimokawa Yoshiyuki , Minami Hideki , Kondo Osamu , Iokibe Gaku , Nakagawa Junichi 
Published: June 2024

AbstractDespite ensuring the integrity of bogie frames for railway vehicles via nondestructive inspections during periodic maintenance, the possibility of fatigue cracks occurring at locations other than the predetermined inspection points cannot be dismissed. Therefore, fatigue cracks can be prevented more efficiently by assessing the overall degree of fatigue damage to the entire bogie frame and determining the results via nondestructive inspections. In this study, dynamic stresses in the bogie frame during running were estimated via finite element dynamic analysis by using the axle box acceleration as input, and the degree of fatigue damage and life were calculated from the waveform of the estimated stresses. Furthermore, we developed a bogie frame fatigue prediction system based on a high‐speed and high‐precision stress calculation method. The developed system visualized the overall relative life.
Categorical data analysis using discretization of continuous variables to investigate associations in marine ecosystems
Authors: Solvang Hiroko Kato , Imori Shinpei , Biuw Martin , Lindstrøm Ulf , Haug Tore 
Published: June 2024

AbstractUnderstanding and predicting interactions between predators and prey and their environment are fundamental for understanding food web structure, dynamics, and ecosystem function in both terrestrial and marine ecosystems. Thus, estimating the conditional associations between species and their environments is important for exploring connections or cooperative links in the ecosystem, which in turn can help to clarify such directional relationships. For this purpose, a relevant and practical statistical method is required to link presence/absence observations with biomass, abundance, and physical quantities obtained as continuous real values. These data are sometimes sparse in oceanic space and too short as time series data. To meet this challenge, we provide an approach based on applying categorical data analysis to present/absent observations and real‐number data. The real‐number data used as explanatory variables for the present/absent response variable are discretized based on the optimal detection of thresholds without any prior biological/ecological information. These discretized data express two different levels, such as large/small or high/low, which give experts a simple interpretation for investigating complicated associations in marine ecosystems. This approach is implemented in the previous statistical method called CATDAP developed by Sakamoto and Akaike in 1979. Our proposed approach consists of a two‐step procedure for categorical data analysis: (1) finding the appropriate threshold to discretize the real‐number data for applying an independent test; and (2) identifying the best conditional probability model to investigate the possible associations among the data based on a statistical information criterion. We perform a simulation study to validate our proposed approach and investigate whether the method's observation includes many zeros (zero‐inflated data), which can often occur in practical situations. Furthermore, the approach is applied to two datasets: (1) one collected during an international synoptic krill survey in the Scotia Sea west of the Antarctic Peninsula to investigate associations among krill, fin whale (Balaenoptera physalus), surface temperature, depth, slope in depth (flatter or steeper terrain), and temperature gradient (slope in temperature); (2) the other collected by ecosystem surveys conducted during August–September in 2014–2017 to investigate associations among common minke whales, the predatory fish Atlantic cod, and their main prey groups (zooplankton, 0‐group fish) in Arctic Ocean waters to the west and north of Svalbard, Norway. The R code summarizing our proposed numerical procedure is presented in S4S1.
Collaborative Systems Thinking Culture: A Path to Success for Complex Projects
Authors: Bouyaud Mickael , Davila‐Rendon Natalie , Deng Alex , Duprez Jean , Fraga Anabel , John Leema , Noguchi Ryan , Palmer Erika , Patel Jay , Romero Maria , Wolfgang Raymond , Wozniak Michael 
Published: June 2024

ABSTRACTThe world is filled with hard and complex problems, oftentimes requiring involved solutions. In large organizations attempting to solve these types of problems, a mindset shift and key candidate methodologies centered on collaborative systems thinking culture (CSTC) can assist significantly. The paper explores the state of the practice, change involved with implementing systems thinking, impacts of a collaborative approach within an organization, as well as the seven phases that a reader can introduce into their organization to realize some of the benefits. The same approach was used to create this paper under collective authorship from cohort 6 of the INCOSE Technical Leadership Institute (TLI); an international group of individuals collaborating exclusively through virtual platforms. From writing papers to executing large technical programs, the CSTC approach will prepare technical teams for tackling challenging problems in an inclusive way with the intent to finish projects on time while also cultivating healthy systems engineering habits and practices. This lessens the reliance on corporate engineering procedures to drive collaborative behavior by fiat. Finally, blending CSTC into the fabric and culture of an organization is emphasized as being needed for the full benefit. That benefit includes saving programs by moving to a CSTC.
Future Trends Influencing Technical Leaders and Technical Leadership
Authors: West Timothy D. , Daida Midori , Silva Fabio , Jean Paul , Sharifi Nazanin 
Published: June 2024

ABSTRACTThis paper summarizes the authors' reflections on global trends and key factors influencing systems engineering in the post‐COVID era. The discussion builds upon INCOSE's Systems Engineering Vision 2035, as well as multiple virtual workshops and peer discussions conducted by the authors as part of their experience in INCOSE's Technical Leadership Institute (TLI). The authors focus on three key factors affecting technical leaders and their technical leadership role: 1) the heightened societal awareness of environmental concerns along with the associated demand for more environmentally friendly products, 2) the increasingly interconnected, multicultural, multigenerational work environment, and 3) the increasing capability of advanced digital tools, techniques, and processes. The authors' analysis acknowledges the need for technical leaders to think green, build an inclusive work environment, welcome differing viewpoints, avoid stereotyping, and expand their virtual tradecraft. Ultimately technology changes how technical leaders do their jobs, but not the job itself. Leaders must still set the vision and direction of the organization, communicate that vision to their stakeholders, and provide the resources and support that the team needs to achieve the vision. Emerging technologies offer leaders new and innovative means to do this in a more inviting and inclusive manner.
Community pharmacists' experience, attitudes, and knowledge in providing care to lactating persons
Authors: Szabo Michelle M. , Baker Chelsea M. , Gaur Mudit , Nichols Molly A. 
Published: June 2024

AbstractIntroductionBreastfed infants have been shown to have a lower incidence of common childhood infections and sudden infant death syndrome. Furthermore, breastfeeding people experience lower rates of post‐partum mood disorders. The majority of breastfeeding people stop breastfeeding earlier than they intend. Concern about medication use during lactation is one reason for early discontinuation. It is critical that community pharmacists are prepared to appropriately counsel lactating patients on the effects medications can have on their efforts to breastfeed.ObjectivesTo (1) characterize community pharmacists' experience, attitudes, and knowledge regarding medication use during lactation and (2) identify factors impacting pharmacists' knowledge.MethodsA 52‐item electronic survey was used to collect demographics, experiences, attitudes, and knowledge regarding medication use during lactation. Community pharmacists who precepted for a Big Ten College of Pharmacy were eligible to participate in the study. Descriptive statistics were calculated using Microsoft Excel. Multivariable linear regression was performed using R (version 3.6.1) to evaluate which factors influenced total knowledge scores.ResultsForty‐eight of 1029 pharmacy preceptors (4.7%) completed the survey. The average total knowledge score for respondents was 51.3%. Most (80.0%) respondents agreed or strongly agreed they viewed themselves as valuable healthcare resources to breastfeeding patients. Most (82.5%) agreed or strongly agreed that patients who desire information about how medications can impact breastfeeding will directly ask for it. Fewer than 50% agreed or strongly agreed that pharmacy workflow supported them to look up lactation‐related information while working.ConclusionPharmacists have low knowledge of medications' effects on milk supply despite their positive attitudes towards breastfeeding and belief they are valuable healthcare resources to their breastfeeding patients. Workflow barriers, expectations that patients will ask for lactation‐related information if desired, and gaps in education may be key contributors to lactating patients not getting the information they need regarding medication use.
Legal, safety, and practical considerations of compounded injectable semaglutide
Authors: Spitery Allison , Elder Mary J. , Farhat Nada , Mohammad Insaf , Lobkovich Alison 
Published: June 2024

AbstractThe use of long‐acting incretin‐based therapies, such as semaglutide, has increased in recent years due to their benefits for glycemic control in diabetes, cardiovascular risk reduction, and weight management. Ongoing drug shortages have led clinicians and patients to seek alternative routes for accessing these therapies, including the use of non‐United States Food and Drug Administration (FDA)‐approved compounded incretin‐based therapy. This review paper describes the legal, safety, and practical considerations of compounded injectable semaglutide for diabetes and weight management. While this paper is specific to injectable semaglutide, the concepts described apply to all compounded injectable incretin‐based therapies. While there is a general recommendation against the use of non–FDA‐approved compounded incretin analogs, if clinicians elect to use compounded incretin‐based therapy, the potential harms and benefits for each patient must be considered, and patients must be properly educated on the correct administration of the product they receive.
Can artificial intelligence (AI) educate your patient? A study to assess overall readability and pharmacists' perception of AI‐generated patient education materials
Authors: Armstrong Drew , Paul Caroline , McGlaughlin Brent , Hill David 
Published: June 2024

AbstractIntroductionPharmacists are critical in providing safe and accurate education to patients on disease states and medications. Artificial intelligence (AI) has the capacity to generate patient education materials at a rapid rate, potentially saving healthcare resources. However, overall accuracy and comfort with these materials by pharmacists need to be assessed.ObjectiveThe purpose of this study was to assess the accuracy, readability, and likelihood of using AI‐generated patient education materials for ten common medications and disease states.MethodsAI (Chat Generative Pre‐Trained Transformer [ChatGPT] v3.5) was used to create patient education materials for the following medications or disease states: apixaban, Continuous Glucose Monitoring (CGM), the Dietary Approaches to Stop Hypertension (DASH) Diet, enoxaparin, hypertension, hypoglycemia, myocardial infarction, naloxone, semaglutide, and warfarin. The following prompt, “Write a patient education material for…” with these medications or disease states being at the end of the prompt, was entered into the ChatGPT (OpenAI, San Francisco, CA) software. A similar prompt, “Write a patient education material for…at a 6th‐grade reading level or lower” using the same medications and disease states, was then completed. Ten clinical pharmacists were asked to review and assess the time it took them to review each educational material, make clinical and grammatical edits, their confidence in the clinical accuracy of the materials, and the likelihood that they would use them with their patients. These education materials were assessed for readability using the Flesh‐Kincaid readability score.ResultsA total of 8 pharmacists completed both sets of reviews for a total of 16 patient education materials assessed. There was no statistical difference in any pharmacist assessment completed between the two prompts. The overall confidence in accuracy was fair, and the overall readability score of the AI‐generated materials decreased from 11.65 to 5.87 after reviewing the 6th‐grade prompt (p < .001).ConclusionAI‐generated patient education materials show promise in clinical practice, however further validation of their clinical accuracy continues to be a burden. It is important to ensure that overall readability for patient education materials is at an appropriate level to increase the likelihood of patient understanding.
Effects of amino‐ and dimethylamine‐groups on the fluorescent properties of novel flavone‐based derivatives with ESIPT behavior: A TD‐DFT study
Authors: Zhang Zhengyi , Fang Hua 
Published: June 2024

AbstractIn this work, the effects of different functional groups on the excited‐state intramolecular proton transfer behavior and fluorescent features of 3‐hydroxy‐2‐(naphthalen‐2‐yl)‐4H‐chromen‐4‐one (HFN) are explored in detail. Three new compounds (HFN‐1, HFN‐2, and HFN‐3) are designed based on the HFN by introducing the electron‐donating groups (–NH2, –N(CH3)2). The mainly geometrical parameters of optimized configuration showed that the intramolecular hydrogen bonds of the studied compounds are enhanced in the excited (S1) state, confirming by the ground (S0) and excited states infrared spectra, electron densities and reduced density gradient isosurfaces. The S0 → S1 transitions of HFN derivatives are dominated by ππ* charge transfer transition. The introduction of electron‐donating group (–NH2, –N(CH3)2) weakens the intramolecular hydrogen bond, increases the excited‐state intramolecular proton transfer barrier and red‐shifts the absorption/fluorescence peak. The coexistence of –NH2 and –N(CH3)2 make the absorption and fluorescence wavelengths of HFN‐1/HFN‐2 red‐shift/blue‐shift.
Therapeutics of the future: Navigating the pitfalls of extracellular vesicles research from an osteoarthritis perspective
Authors: Karoichan Antoine , Boucenna Sarah , Tabrizian Maryam 
Published: June 2024

AbstractExtracellular vesicles have gained wide momentum as potential therapeutics for osteoarthritis, a highly prevalent chronic disease that still lacks an approved treatment. The membrane‐bound vesicles are secreted by all cells carrying different cargos that can serve as both disease biomarkers and disease modifiers. Nonetheless, despite a significant peak in research regarding EVs as OA therapeutics, clinical implementation seems distant. In addition to scalability and standardization challenges, researchers often omit to focus on and consider the proper tropism of the vesicles, the practicality and relevance of their source, their low native therapeutic efficacy, and whether they address the disease as a whole. These considerations are necessary to better understand EVs in a clinical light and have been comprehensively discussed and ultimately summarized in this review into a conceptualized framework termed the nanodiamond concept. Future perspectives are also discussed, and alternatives are presented to address some of the challenges and concerns.
Towards IVDR‐compliance by implementing quality control steps in a quantitative extracellular vesicle‐miRNA liquid biopsy assay for response monitoring in patients with classic Hodgkin lymphoma
Authors: Drees Esther E. E. , Groenewegen Nils J. , Verkuijlen Sandra A. W. M. , van Eijndhoven Monique A. J. , Ramaker Jip , Veenstra Pepijn , Hussain Mirjam , Groothuis‐Oudshoorn Catharina G. M. , de Jong Daphne , Zijlstra Josée M. , de Rooij Johan , Pegtel D. Michiel 
Published: June 2024

AbstractPreviously, we showed that quantification of lymphoma‐associated miRNAs miR‐155‐5p, ‐127‐3p and let‐7a‐5p levels in plasma extracellular vesicles (EVs) report treatment response in patients with classic Hodgkin lymphoma (cHL). Prior to clinical implementation, quality control (QC) steps and validation are required to meet international regulatory standards. Most published EV‐based diagnostic assays have yet to meet these requirements. In order to advance the assay towards regulatory compliance (e.g., IVDR 2017/746), we incorporated three QC steps in our experimental EV‐miRNA quantitative real‐time reverse‐transcription PCR (q‐RT‐PCR) assay in an ISO‐13485 certified quality‐management system (QMS). Liposomes encapsulated with a synthetic (nematode‐derived) miRNA spike‐in controlled for EV isolation by automated size‐exclusion chromatography (SEC). Additional miRNA spike‐ins controlled for RNA isolation and cDNA conversion efficiency. After deciding on quality criteria, in total 107 out of 120 samples from 46 patients passed QC. Generalized linear mixed‐effect modelling with bootstrapping determined the diagnostic performance of the quality‐controlled data at an area under the curve (AUC) of 0.84 (confidence interval [CI]: 0.76–0.92) compared to an AUC of 0.87 (CI: 0.80–0.94) of the experimental assay. After the inclusion of QC steps, the accuracy of the assay was determined to be 78.5% in predicting active disease status in cHL patients during treatment. We demonstrate that a quality‐controlled plasma EV‐miRNA assay is technically robust, taking EV‐miRNA as liquid biopsy assay an important step closer to clinical evaluation.
High Performance Balanced Linear Polarization Photodetector Based on 2D ReS2
Authors: Hu Yibiao , He Jiajing , Yan Zhouyuan , Xu Chang , Li Xiaobo , Wei Ning , Wang Yan , Dong Ningning , Wang Jun 
Published: June 2024

AbstractConventional research on linear polarization photodetector for 2D materials has focused on the search for different anisotropic materials, combinations between materials, introducing plasmonic structures, and patterning 2D materials to improve performance. However, these methods provide limited improvement in polarization sensitivity. Here, a balanced photodetector structure is proposed that does not require an additional process and relies only on the presence of anisotropy in the material itself to substantially improve the polarization sensitivity. The balanced photodetector consists of two ReS2 photodetectors, where the single ReS2 photodetector exhibits excellent performance at 650 nm illumination, including a responsivity and detectivity of 0.28 A W−1 and 4.22 × 109 Jones. Benefiting from the anisotropy of ReS2, the single photodetector achieves excellent polarization sensitivity of 2.79 at 650 nm. The balanced photodetector system achieves an excellent performance of ≈20 dB linear polarization extinction ratio and 0.003° Hz−1/2 noise equivalent light polarization difference at 100 kHz. These performances can also be further optimized by adjusting the gate voltage. The results provide a basis for further development of high‐performance polarization photodetector for 2D materials.
A 31–36 GHz low noise‐variable gain amplifier with less than 0.37° RMS phase error and 0.4 dB gain step in 65‐nm CMOS
Authors: Kuai Yang , Yan Liwei , Liu Mingjie , Yang Fei 
Published: June 2024

AbstractThis article realizes a low noise‐variable gain amplifier (LN‐VGA) operating at the frequency range of 31–36 GHz. The LN‐VGA consists of two amplifier stages and a gain control stage. To achieve low noise and high gain, the two amplifier stages were implemented using a single‐ended inductive source‐degeneration cascaded with pseudo‐differential neutralization capacitors. Moreover, a symmetrical splitting cascode unit topology is proposed in the gain control stage to improve the precision of phase variation and gain step within the 3‐dB bandwidth. The LN‐VGA was fabricated using a 65‐nm CMOS process, demonstrating a gain control range of 15.2–21.2 dB with less than 2° phase variation and a minimum noise figure of 5.6 dB. The measured results show less than 0.37° rms phase error and a 0.4 dB gain step at 31–36 GHz. The chip occupies an area of 0.81 × 0.51 mm2 excluding pads and consumes 27 mW of power.