bluuebunny/crossref_metadata_2025_split huggingface dataset:
Software‐assisted automated detection and identification of “unknown” fentanyl analogues
Authors: Drug Eyal , Marder Dana , Binyamin Iris , Yeffet Dina , Gershonov Eytan , Dagan Shai 
Published: December 2023

AbstractFentanyl and its non‐pharmaceutical analogues (NPFs) are potent synthetic opioids, traditionally used for pain management, with ever‐increasing illicit uses. Tightening the regulation for known fentanyls leads to new synthetic analogues in the opioid market. Furthermore, the Organization for the Prohibition of Chemical Weapons (OPCW) has recently issued a decision regarding aerosolized use of central nervous system (CNS)‐acting agents, such as fentanyl and its analogues, under the concern that these materials could be misused for terror or war purposes. The ever‐increasing development of new fentanyl analogues makes the task of detection and identification of these new, unknown analogues crucial. In this work, we introduce an automated tool for the detection and putative identification of “unknown” fentanyl analogues, using liquid chromatography–mass spectrometry (LC–MS) (high‐resolution mass spectrometry [HRMS]) analysis, subsequently followed by data processing using the “Compound Discoverer” software. This software, in our modified use, enabled the automatic detection of various fentanyl analogues, by “digging” out components and comparing them to pre‐calculated theoretical molecular ions of possible modifications or transformations on the fentanyl backbone structure (no library or database used). Subsequently, structural elucidation for the proposed component of interest is carried out by automated MS/MS data interpretation, as performed by the software. This method was explored on 12 fentanyl‐based “unknown” analogues used as model examples, including chemical modifications such as fluorination and methylation. In all tested compounds, automatic detection and identification were achieved, even at concentrations as low as 1 ng/mL in an environmental soil matrix extract.
Identification and characterization of Sofosbuvir‐resistant mutations of hepatitis C virus genotype 3a replicon
Authors: Ngari Jackline Wangu , Leumi Steve , Han Lin , Liu Chaolun , Tong Yimin , Zhong Jin 
Published: December 2023

AbstractHepatitis C virus (HCV) infection is a major cause of chronic liver disease worldwide. Among its 8 genotypes (GT), GT3 has a relatively lower sustained virological response to highly effective direct‐acting antiviral agents (DAA). Sofosbuvir (SOF), an anti‐NS5B polymerase inhibitor, is a core component of many anti‐HCV DAA cocktail regimens, and its resistant mutations are rare in clinics because these mutations usually severely impair the NS5B polymerase activity, including a mutation S282T in NS5B, the most frequently reported SOF‐resistant mutation. In this study, we selected SOF‐resistant variants of a previously developed GT3 subgenomic replicon (PR87A7). Two mutations were identified in the viral genome of SOF‐resistant PR87A7 variants, Q606R in nontargeted NS3 and S282T in targeted N5SB. We demonstrated that Q606R could rescue the replication defect of S282T in PR87A7, and the resulting double mutant confers the SOF resistance. Finally, we showed that NS3‐606R could not compensate for the replication defect of S282T in other GTs. In conclusion, we identified a novel GT3‐specific combination of two mutations that confers SOF resistance. Our result calls for attention to potential mutations that may arise in nontargeted viral proteins during the SOF‐based DAA treatment of chronic HCV.
Role of peripheral and tissue eosinophils and eosinophil cationic protein in pediatric inflammatory bowel disease
Authors: Kim You Ie , Yang Hye Ran 
Published: December 2023

AbstractObjectivesInflammatory bowel disease (IBD), eosinophilic gastrointestinal disease (EGID), and functional abdominal pain disorder (FAPD) present with nonspecific gastrointestinal (GI) symptoms clinically and also have some similarities in pathogeneses associated with eosinophils. Therefore, we aimed to evaluate the role of eosinophils in IBD compared to EGID and FAPD by investigating eosinophils in peripheral blood and GI tissue and eosinophil cationic protein (ECP).MethodsPediatric patients with chronic GI symptoms who underwent endoscopic biopsies were enrolled. Complete blood cell counts, inflammatory markers, immunoglobulin E (IgE), serum ECP levels, and endoscopic and histopathologic findings were retrospectively reviewed.ResultsA total of 387 patients were included: 179 with EGID, 107 with IBDs, and 82 with FAPD. Peripheral absolute eosinophil count (AEC), total IgE, and serum ECP were significantly higher in both IBD and EGID than in FAPD (all p < 0.05). Statistically significant differences were noted among the three groups in tissue eosinophil counts in each segment of GI tract except for the esophagus (p < 0.05). Significant differences were observed in tissue eosinophil counts in the ascending, sigmoid colon, and rectum between EGID and IBD (p < 0.05). Peripheral and tissue eosinophils in the stomach and duodenum revealed positive correlation in both EGID and IBD (both p < 0.001).ConclusionElevated eosinophil‐related markers, as well as increased tissue eosinophilic infiltration in the affected areas of the GI tract in both IBD and EGID compared to FAPD, suggest that eosinophils might play a common important role in the pathogeneses of both diseases.
Synthesis of Poly[N‐(2‐((3‐Morpholino‐3‐Oxopropyl)Thio)Ethyl)Methacrylamide]: A New Thermoresponsive Polymer with Tunable LCST‐ and UCST‐Type Phase Transition in Aqueous and Alcoholic Solutions
Authors: Liu Dan , Liang Hui , Lu Jiang 
Published: December 2023

AbstractA novel monomer, N‐(2‐((3‐morpholine‐3‐isopropyl)thio)ethyl)methacrylamide (MTMA), is synthesized and polymerized by reversible addition‐fragmentation chain transfer (RAFT) polymerization to give a thermoresponsive polymer poly[N‐(2‐((3‐morpholino‐3‐oxopropyl)thio)ethyl)methacrylamide] (PMTMA). PMTMA exhibits reversible thermoresponsive phase transitions of the lower critical solution temperature (LCST) type in water and the upper critical solution temperature (UCST) type in ethanol and methanol. The degree of polymerization and concentration of PMTMA, and solvent type have a significant influence on the transition temperature. PMTMA shows complicated thermoresponse in water–alcohol mixtures. In water–ethanol mixtures, the phase diagram of PMTMA can be divided into three regions according to ethanol volume percentages, φ: 0 ≤ φ < 15% for an LCST region; 15% ≤ φ < 91.5% for a complete dissolution region; 91.5% ≤ φ ≤ 100% for a UCST region. At high water content, the LCST increases with increasing ethanol content; and at high ethanol content, the UCST decreases with increasing water content. In water–methanol mixtures, PMTMA shows more complex thermoresponse. In the range of 0–50 °C, the phase diagram can be divided into five regions, depending on the methanol volume percentages φ: 0 ≤ φ < 15% for LCST region; 15% ≤ φ < 25% for immiscible region; 25% ≤ φ < 85% for UCST region; 85% ≤ φ < 95% for fully dissolved region; 95% ≤ φ ≤ 100% for another UCST region.
Electron‐Assisted Deposition‐Polymerization in Vacuum of Polymethines with Terminal Allyl Group
Authors: Grytsenko Kostyantyn , Doroshenko Tamara , Kolomzarov Yurii , Lytvyn Petro , Slominskii Yurii 
Published: December 2023

AbstractPolymethines containing an allyl group have been synthesized. Their films are produced by physical vapor deposition (PVD) on glass, silicon (Si), gold (Au), polytetrafluoroethylene (PTFE), and nanostructured plastic substrates. Optical spectra recorded during the deposition showed no decomposition of molecules. The influence of dye structure and substrate on the morphology of the deposits is studied using atomic force microscopy (AFM). Depending on the dye structure and the substrate material, various nanostructures are grown. Dichroic nanowires (NWs) are formed by self‐assembly on Au and Si substrates. On the Si surface, NWs grow between the edges of neighboring Au stripes. Several methods are used for the selective opening of the allyl group. Smooth films are produced with optical spectra similar to those deposited by PVD. The morphology of the films is dependent on the activation conditions. The thermal stability of the films exceeds the stability of those deposited via PVD.
Dynamic serum testosterone concentration may predict in vitro fertilization yield during ovarian stimulation by a gonadotrophin‐releasing hormone agonist long protocol in women with normal ovarian reserve
Authors: Zhao Yang , Jiao Xuedan , Xu Jiawen , Chu Chu , Cao Yacong , Xu Huiyu , Xu Wenming , Zhao Xiaomiao 
Published: December 2023

AbstractObjectiveTo determine whether dynamic changes in serum total testosterone (TT) levels during controlled ovarian stimulation (COS) by a GnRH‐a (gonadotrophin‐releasing hormone agonist) long protocol may predict pregnancy in women with normal ovarian reserve in in vitro fertilization.MethodsThe TT measurements were added to routine hormone tests during COS. The TT dynamic changes, clinical pregnancy rate, and quality of oocytes and embryos of 109 patients were analyzed.ResultsCompared with the non‐pregnancy group, in the pregnancy group the TT level on Gn initial day (TTinitial‐d) increased sharply when the dominant follicle reached a diameter 10–12 mm [TTfΦ (10–12)‐d] and on human chorionic gonadotrophin (HCG) day (TTHCG‐d), also the ratios of TTfΦ (10–12)‐d to TTinitial‐d (1.23 ± 0.37 vs. 1.10 ± 0.58, p = 0.040) and TTHCG‐d to TTinitial‐d (2.32 ± 1.26 vs. 2.00 ± 1.43, p = 0.019) increased notably. Of the 2 TT ratios, the first tertile limit was regarded as the threshold of high TT ratios (1.00, 1.45). High tertiles had higher pregnancy rates than low tertiles (82.86% vs. 42.11%, p = 0.006; 71.43% vs. 44.83%, p = 0.040). The 2 TT ratios were positively associated with the number of metaphase II oocytes and good‐quality embryos.ConclusionOf COS in a long GnRH‐a protocol with optimized outcome, serum TT kinetics appears to be characterized by sharp rises at the early and late stages of follicle growth. The ratios of TTΦ (10–12)‐d to TTinitial‐d and TTHCG‐d to TTinitial‐d may be predictors for pregnancy and qualitative outcomes of oocytes and embryos.
From consumption to withdrawal: A broad synopsis of the effects of alcohol
Authors: Zhu Jun , Liu Qi , Kong Bin , Shuai Wei , Xiao Zheng , Dai Chang , Huang He 
Published: December 2023

AbstractThe consumption of alcohol reflects both societal norms and personal choices and has major clinical implications. Long‐term excess alcohol consumption leads to a domino effect of pathological outcomes and onset of chronic illness. However, the risks of alcohol consumption extend beyond long‐term health issues. Because habitual alcohol drinkers reach a state of systemic homeostasis, when they attempt withdrawal, they experience many negative physiological effects and may develop alcohol withdrawal syndrome. The complex interplay between alcohol consumption and withdrawal does not result solely in behavioral issues. Rather, a substantial number of important physiological adaptations and potential problems underly habitual drinking. Addressing these issues requires comprehensive medical observation and intervention. Here, we summarize the pathophysiological mechanisms, clinical diseases, and related treatment methods of alcohol consumption and withdrawal. The aim was to provide a reference to improve understanding of alcohol use and promote an informed approach to alcohol withdrawal.
How to work together for engineering materials!
Authors: Iwata Shuichi 
Published: December 2023

AbstractTo share and utilize data effectively for collaborative work, a common understanding of the knowledge behind the data, including its context and meaning, is a fundamental requirement. This paper focuses on the gaps that hinder common understanding between the real world and the data space, acting as barriers between systems, organizations, data spaces, and disciplines. To understand the core reasons and devise strategies for bridging the gap, the author has endeavored to synthesize a case study of material data activities from two perspectives: diachronic and synchronic, which is framed into a two‐step process, involving the establishment of intersubjectivity among experts and interobjectivity among materials/substances data. As a result, the author has formulated an action plan for the digitization of engineering materials, encompassing tacit knowledge, know‐how, and intellectual property rights to establish a foundation for their use with traceability, interoperability, and reusability. In order to create a conceptual framework that enhances a productive ecosystem facilitated by networked materials and substance databases, this plan is conclusively based on two key steps: fostering interactions among experts rooted in substances and materials and standardizing digitized data related to substances/materials based on their geospatial structural information.
Parenteral nutrition insecurity: ASPEN survey to assess the extent and severity of parenteral nutrition access and reimbursement issues
Authors: Mirtallo Jay M. , Blackmer Allison , Hennessy Kathryn , Allen Penny , Nawaya Alaa D. 
Published: December 2023

AbstractBackgroundParenteral nutrition (PN) shortages and lack of qualified professional staff to manage PN impact safe, efficacious care and costs of PN. This American Society for Parenteral and Enteral Nutrition (ASPEN)–sponsored survey assessed the frequency and extent to which PN access affects PN delivery to patients.MethodsHealthcare professionals involved with PN were surveyed. Questions were developed to characterize the respondent population and determine the extent and severity of PN access issues to components, devices, and healthcare professionals, as well as their effects on discharge and transfer issues. Reimbursement issues included cost, adequacy of therapy, and healthcare professional reimbursement. Burdens were types and frequency of errors, adverse events, and nutrition problems resulting from PN access issues. Impact on professionals and organizations was determined.ResultsRespondents (N = 350) worked in hospitals (75%) and home infusion (25%). Per day, clinicians cared for <15 patients receiving PN. All age populations were represented. Respondents reported shortages of macronutrients (72%, 233 of 324) and micronutrients (91%, 297 of 324). Issues with access to healthcare workers were observed. PN access issues contribute to increased costs of PN, and knowledge regarding the current rate of PN reimbursement is limited. Respondents (75%, 197 of 261) observed an error due to PN access issues. Adverse events (57%, 149 of 259) were observed leading to temporary or permanent harm (24%, 61 of 259) as well as near death (4%, 9 of 259) and death (1%, 2 of 259). Providers reported time away from other job responsibilities and workplace stress.ConclusionPN access issues result in “PN insecurity” that negatively impacts patients and healthcare providers and leads to adverse events including death in patients receiving PN.
An efficient parallel solution scheme for the phase field approach to dynamic fracture based on a domain decomposition method
Authors: Hao Shourong , Shen Yongxing 
Published: December 2023

AbstractThe phase field approach to fracture becomes popular for complicated fracture problems in recent years. However, its widespread application is hindered by its high computational cost. In this article, we propose an efficient parallel explicit‐implicit solution scheme for the phase field approach to dynamic fracture based on a domain decomposition method, specifically, the dual‐primal finite element tearing and interconnecting (FETI‐DP) method. In this scheme, the displacement field is updated by an explicit algorithm in parallel, and the phase field is implicitly solved by the FETI‐DP method. In particular, Lagrange multipliers are introduced to ensure the interface continuity of the phase field. In the computational process, the information exchange among subdomains merely exists in a few substeps, which renders the cost for communication very small. Moreover, the size of equations to be solved is proportional to the total area of subdomain interfaces, which is significantly reduced compared with a typical single‐domain solution procedure. The solution scheme is able to perform phase field simulations with a million of degrees of freedom using only 0.034 core hours per load step, and has flexible extensibility for existing phase field codes. Several numerical examples demonstrate the accuracy and efficiency of the proposed scheme.
Correlation of health literacy, health management self‐efficacy, and attitude in elderly patients with schizophrenia: A cross‐sectional study
Authors: Liao Su‐Jung , Wang Lin‐Jie 
Published: December 2023

AbstractAimThe study investigated the relationship between chronic diseases and health problems, emotional health status, health literacy, health self‐management attitude, and health management self‐efficacy in older patients with schizophrenia. It is expected to provide multiple health perspectives in the care of older patients with schizophrenia and improve their health literacy and self‐management.DesignA cross‐sectional study.MethodsData collection from 2020/09 to 2021/10, the study of older patients with schizophrenia who were diagnosed with schizophrenia and were over 50 years, live in residential mental rehabilitation institutions in eastern Taiwan as older people. Data were collected on demographic variables, chronic diseases, health problems, health literacy, healthy management self‐efficacy, and attitudes.ResultsThe study results show 61.49 years (SD = 6.57), the gender, health literacy, and health management self‐efficacy can effectively explain the variance of health self‐management state by 18.5% (F(3,116) = 10.01, p < 0.000), in which health literacy (β = 0.28, t = 3.07, p = 0.003) and health management self‐efficacy (β = 0.19, t = 2.03, p = 0.04) that in the analysis of predictors, emotional health status, and health literacy not only have significant explanatory power on health management self‐efficacy and the performance of physical functions but are also important factors affecting the quality of life among the elderly; the important influencing factor of health management self‐efficacy and health self‐management behaviour is health literacy. Therefore, health literacy is crucial to the health attitudes of older patients with schizophrenia.ConclusionThis study found that increased health literacy among older patients with schizophrenia can enhance their attitude and ability to manage their health.Implications for the Profession and No Patient or Public ContributionNursing can provide nursing measures related to individual health literacy to help patients improve their health literacy, maintain the health of chronic older patients with schizophrenia, reduce elderly schizophrenia disability, enhance patients' ability to manage their self‐efficacy and health self‐management attitude, and improving the health and quality of life of patients.
An analysis on the optimal control and approximate controllability for Hilfer fractional neutral integro‐differential systems with finite delay
Authors: Ma Yong‐Ki , Kavitha K. , Shukla Anurag , Vijayakumar V. , Nisar Kottakkaran Sooppy 
Published: December 2023

AbstractThe existence and uniqueness of solutions to Hilfer fractional neutral delay integro‐differential equations subject to nonlocal conditions are discussed in this study. The main results of this study are based in part on the fixed point techniques of Banach contraction and Krasnoselskii's fixed point theorem from calculus theory. First, we determine whether or not the fractional system has a mild solution. The uniqueness of the mild solution is further illustrated by expanding our results. The optimal control problems are governed by a new class of neutral delay integro‐differential equations in Banach spaces, and we also develop sufficient conditions for the approximate controllability of a nonlinear fractional system. An example is given at the end to strengthen the compatibility of the results.
Downregulated BMP–Smad1/5/8 signaling causes emphysema via dysfunction of alveolar type II epithelial cells
Authors: Zheng Xi , Chen Xiaoying , Hu Xiaoxiao , Chen Lidan , Mi Nana , Zhong Qianqian , Wang Linfang , Lin Chensheng , Chen YiPing , Lai Fancai , Hu Xuefeng , Zhang Yanding 
Published: December 2023

AbstractBone morphogenetic protein (BMP)–Smad1/5/8 signaling plays a crucial regulatory role in lung development and adult lung homeostasis. However, it remains elusive whether BMP–Smad1/5/8 signaling is involved in the pathogenesis of emphysema. In this study, we downregulated BMP–Smad1/5/8 signaling by overexpressing its antagonist Noggin in adult mouse alveolar type II epithelial cells (AT2s), resulting in an emphysematous phenotype mimicking the typical pathological features of human emphysema, including distal airspace enlargement, pulmonary inflammation, extracellular matrix remodeling, and impaired lung function. Dysregulation of BMP–Smad1/5/8 signaling in AT2s leads to inflammatory destruction dominated by macrophage infiltration, associated with reduced secretion of surfactant proteins and inhibition of AT2 proliferation and differentiation. Reactivation of BMP–Smad1/5/8 signaling by genetics or chemotherapy significantly attenuated the morphology and pathophysiology of emphysema and improved the lung function in Noggin‐overexpressing lungs. We also found that BMP–Smad1/5/8 signaling was downregulated in cigarette smoke‐induced emphysema, and that enhancing its activity in AT2s prevented or even reversed emphysema in the mouse model. Our data suggest that BMP–Smad1/5/8 signaling, located at the top of the signaling cascade that regulates lung homeostasis, represents a key molecular regulator of alveolar stem cell secretory and regenerative function, and could serve as a potential target for future prevention and treatment of pulmonary emphysema. © 2023 The Pathological Society of Great Britain and Ireland.