bluuebunny/crossref_metadata_2025_split huggingface dataset:
Targeting of essential mycobacterial replication enzyme DnaG primase revealed Mitoxantrone and Vapreotide as novel mycobacterial growth inhibitors**
Authors: Ali Waseem , Jamal Salma , Gangwar Rishabh , Ahmed Faraz , Sharma Rahul , Agarwal Meetu , Sheikh Javaid Ahmad , Grover Abhinav , Grover Sonam 
Published: December 2023

AbstractTuberculosis (TB) is the second leading cause of mortality after COVID‐19, with a global death toll of 1.6 million in 2021. The escalating situation of drug‐resistant forms of TB has threatened the current TB management strategies. New therapeutics with novel mechanisms of action are urgently required to address the current global TB crisis. The essential mycobacterial primase DnaG with no structural homology to homo sapiens presents itself as a good candidate for drug targeting. In the present study, Mitoxantrone and Vapreotide, two FDA‐approved drugs, were identified as potential anti‐mycobacterial agents. Both Mitoxantrone and Vapreotide exhibit a strong Minimum Inhibitory Concentration (MIC) of ≤25μg/ml against both the virulent (M.tb‐H37Rv) and avirulent (M.tb‐H37Ra) strains of M.tb. Extending the validations further revealed the inhibitory potential drugs in ex vivo conditions. Leveraging the computational high‐throughput multi‐level docking procedures from the pool of ~2700 FDA‐approved compounds, Mitoxantrone and Vapreotide were screened out as potential inhibitors of DnaG. Extensive 200 ns long all‐atoms molecular dynamic simulation of DnaGDrugs complexes revealed that both drugs bind strongly and stabilize the DnaG during simulations. Reduced solvent exposure and confined motions of the active centre of DnaG upon complexation with drugs indicated that both drugs led to the closure of the active site of DnaG. From this study‘s findings, we propose Mitoxantrone and Vapreotide as potential anti‐mycobacterial agents, with their novel mechanism of action against mycobacterial DnaG.
Latent classes of health‐promoting lifestyle in breast cancer patients undergoing chemotherapy in China: A cross‐sectional survey
Authors: Song Meixuan , He Qiuyao , Yang Juan , Zhang Jinyu 
Published: December 2023

AbstractAimTo identify the latent classes of a health‐promoting lifestyle and examine the associations of latent class profile with individual characteristics of breast cancer undergoing chemotherapy in China in order to provide some insights and recommendations for targeted and individualized health education of health‐promoting lifestyle.DesignA descriptive cross‐sectional survey design was used for this work.MethodsA total of 197 patients with breast cancer undergoing chemotherapy recruited from the Breast Cancer Outpatient Chemotherapy Clinic of a Grade 3A hospital were surveyed. Health‐promoting lifestyle was measured using the Health Promotion Lifestyle Profile‐II: Chinese Version Short (HPLP‐IICR). Latent class analysis was used to examine respondents' health‐promoting lifestyle patterns. Associations between the latent class membership and individual characteristics were examined using multinomial logistic regression.ResultsFour latent classes were identified: Class 1–Good Nutrition and Poor Physical Activity, Class 2–Poor Health Responsibility and Nutrition, Class 3–Active Health‐Promoting Lifestyle, and Class 4–Medium Spiritual Growth and Poor Other Dimensions. Younger respondents and respondents with a higher score in anxiety and depression were more likely to be classified in Class 4 rather than Class 1 or 3. Respondents with low exercise self‐efficacy were more likely to be classified in Class 4 than the others. Respondents in Class 4 had more chemotherapy symptom severity and interference, and cases of menopause were fewer in Class 4 rather than Class 3. Those in Class 4 were more likely to have been diagnosed with cancer within 3 months than those in Class 1.
The mechanisms of student grit at the height of a major crisis: Identifying key predictors when times get really tough
Authors: Terry Daniel , Peck Blake , Biangone Marianne 
Published: December 2023

AbstractAimThe study aims to provide insights into the key predictors of grit both before, during and throughout a common crisis event, where other more individualised challenges may not provide these insights.DesignA repeated cross‐sectional design.MethodsData were collected via an anonymous questionnaire among n = 818 (20.8% response rate) nursing students who were undertaking a three‐year baccalaureate degree. Data collection occurred in the mid‐year break of 2019, 2020 and 2021. The online questionnaire, which examined student demographics, personality, locus of control‐4, general self‐efficacy, psychological capital and grit, took 15–25 min to complete. Data were prepared and analysed using Statistical Package for the Social Sciences to undertake Structural Equation Modelling. Reporting methods adhered to the STROBE guidelines.ResultsThe pathway models of grit prior to, at the time of, and after the global pandemic varied slightly as to their predictor variables, however, neuroticism was consistently present. Locus of control and psychological capital also varied over this period with hope having a positive impact, prior to and after the initial crisis, however, negatively impacted grit afterwards. Understanding the key drivers of grit, particularly those essential at or around the time of a crisis guides our understanding of how to better support nursing or healthcare students. These insights enable a greater focus of energies towards malleable attributes that can increase grit levels and better fortify nursing students for challenges they may encounter in practice. These insights also serve to further prepare healthcare, emergency, or other professionals who may encounter regular crises. Within months of a global pandemic occurring, the key predictors of grit were shown to fundamentally alter. Each pathway model varied slightly suggesting the timing of a crisis impacts students' capacity to manage new or novel situations, with hope as a key driver of grit throughout a crisis.
Advancing nursing practice with artificial intelligence: Enhancing preparedness for the future
Authors: Rony Moustaq Karim Khan , Parvin Mst. Rina , Ferdousi Silvia 
Published: December 2023

AbstractAimThis article aimed to explore the role of AI in advancing nursing practice, focusing on its impact on readiness for the future.Design and MethodsA position paper, the methodology comprises three key steps. First, a comprehensive literature search using specific keywords in reputable databases was conducted to gather current information on AI in nursing. Second, data extraction and synthesis from selected articles were performed. Finally, a thematic analysis identifies recurring themes to provide insights into AI's impact on future nursing practice.ResultsThe findings highlight the transformative role of AI in advancing nursing practice and preparing nurses for the future, including enhancing nursing practice with AI, preparing nurses for the future (AI education and training) and associated, ethical considerations and challenges. AI‐enabled robotics and telehealth solutions expand the reach of nursing care, improving accessibility of healthcare services and remote monitoring capabilities of patients' health conditions.
Moving between doing and being—Meanings of person‐centredness as narrated by nursing home managers. A phenomenological hermeneutical study
Authors: Backman Annica , Sjögren Karin , Lövheim Hugo , Edvardsson David 
Published: December 2023

AbstractAimThis study aimed to illuminate meanings of person‐centredness as narrated by nursing home managers in nursing homes rated as highly person‐centred.DesignA phenomenological hermeneutical approach was used.MethodsTwelve nursing home managers in 11 highly person‐centred nursing homes in 7 municipalities in Sweden were included in this interview study. The findings were interpreted, reflected and discussed through the lens of Ricoeur.ResultsMeanings of person‐centredness could be understand as moving between doing and being through knowing, sensing, sharing and giving for person‐centredness. These aspects contributed via knowledge, understanding, interaction and action that involved doing for and being with older persons through these caring dimensions. By moving between doing for, being with and being part of the overall nursing home narrative, knowing, sensing, sharing and giving could support the persons' identity in different ways. This may also contribute to sense‐making, preserving dignity and promoting self‐esteem when aiming to provide a good life for older persons in nursing homes, within an ever‐present ethical frame.No Patient or Public ContributionThis study illuminated meanings of person‐centredness as narrated by nursing home managers. No patient of public contribution was investigated.
Effect of UV‐water weathering on the mechanical properties of flax‐fiber‐reinforced polymer composites
Authors: Xu Bowen , van den Hurk Bart , Liu Tao , Blok Rijk , Teuffel Patrick 
Published: December 2023

AbstractThis study examines the influence of weathering aging on the mechanical properties and durability of flax fiber‐reinforced polymer composites (FFRP) intended for outdoor applications. Employing an accelerated weathering environment replicating natural outdoor conditions, encompassing UV radiation, condensation, and water spray, the FFRP samples with 2 and 4 mm thicknesses underwent exposure durations of 0, 500, 1000, and 1500 h. Mechanical tests characterized tensile, flexural, and inner‐plane shear properties, while a custom‐made apparatus measured the long‐term tensile creep behavior. Additionally, scanning electron microscopy allowed for the observation of microscopic changes in fiber and matrix. The findings illustrate a consistent decline in tensile and flexural properties with increased weathering exposure, resulting in reductions of 17% and 38% in the tensile strength and modulus, and 24% and 52% in the flexural strength and modulus after 1500 h. Intriguingly, inner‐plane shear strength exhibited a slight increase after 500 h before a subsequent decrease. Furthermore, samples with the same thickness demonstrated an increased creep development with longer weathering durations. Despite this, the mechanical degradation rate induced by weathering was comparatively slower for thicker samples. Overall, the diminished mechanical properties of FFRP post‐weathering can be attributed not only to the polymer but also to the substantial role played by flax fibers in this process.Highlights
UV weathering degrades the mechanical properties of flax/polyester composites.
Both the instantaneous elastic properties and the long‐term creep behavior are affected by weathering.
Thickness influences the mechanical degradation of the composites caused by UV weathering.
SEM confirmed UV‐water weathering resulted in the degradation of both natural fiber and polymer matrices.
The investigation of printing parameters effect on tensile characteristics for triply periodic minimal surface designs by Taguchi
Authors: Demir Sermet , Temiz Abdurrahim , Pehlivan Fatih 
Published: December 2023

AbstractThe advent of additive manufacturing also referred to as 3D printing, has brought about substantial changes in the industrial domain, as it possesses the capability to fabricate intricate items with enhanced cost‐efficiency and productivity. Fused Filament Fabrication (FFF) is a 3D printing process that has gained significant popularity due to its versatile capabilities and cost‐effectiveness. This paper investigates the impact of the printing parameters on the tensile characteristics of Triply Periodic Minimal Surface (TPMS) manufactured using FFF 3D printing. TPMS patterns have unique geometric properties and potential applications, making them an intriguing subject of study. The behavior of three different TPMS lattices with three printing parameters is investigated. Finding the best testing settings is done with the Taguchi method, and the data is analyzed with the Analysis of Variance (ANOVA) test. TPMS pattern was found to be the most effective parameter with 83.78%. While the highest strength was obtained in Schwarz diamond, the highest energy absorption was observed in the Gyroid structure. The contributions of printing parameters to tensile strength are line thickness, printing speed, and layer height, respectively. As line width and printing speed increase, both energy absorption and strength increase. Therefore, 0.40 mm line width and 60 mm/s printing speed give optimum values. When considered for energy absorption, the optimum value is 0.20 mm layer height, while when considered for strength, 0.10 mm layer height is the optimum value. The findings emphasize the importance of optimizing printing parameters for desired mechanical characteristics in 3D printed components and highlight the potential of TPMS structures in various applications. This research contributes to the growing knowledge in additive manufacturing and provides insights into optimizing FFF 3D printing for improved mechanical performance.
PhosBoost: Improved phosphorylation prediction recall using gradient boosting and protein language models
Authors: Poretsky Elly , Andorf Carson M. , Sen Taner Z. 
Published: December 2023

AbstractProtein phosphorylation is a dynamic and reversible post‐translational modification that regulates a variety of essential biological processes. The regulatory role of phosphorylation in cellular signaling pathways, protein–protein interactions, and enzymatic activities has motivated extensive research efforts to understand its functional implications. Experimental protein phosphorylation data in plants remains limited to a few species, necessitating a scalable and accurate prediction method. Here, we present PhosBoost, a machine‐learning approach that leverages protein language models and gradient‐boosting trees to predict protein phosphorylation from experimentally derived data. Trained on data obtained from a comprehensive plant phosphorylation database, qPTMplants, we compared the performance of PhosBoost to existing protein phosphorylation prediction methods, PhosphoLingo and DeepPhos. For serine and threonine prediction, PhosBoost achieved higher recall than PhosphoLingo and DeepPhos (.78, .56, and .14, respectively) while maintaining a competitive area under the precision‐recall curve (.54, .56, and .42, respectively). PhosphoLingo and DeepPhos failed to predict any tyrosine phosphorylation sites, while PhosBoost achieved a recall score of .6. Despite the precision‐recall tradeoff, PhosBoost offers improved performance when recall is prioritized while consistently providing more confident probability scores. A sequence‐based pairwise alignment step improved prediction results for all classifiers by effectively increasing the number of inferred positive phosphosites. We provide evidence to show that PhosBoost models are transferable across species and scalable for genome‐wide protein phosphorylation predictions. PhosBoost is freely and publicly available on GitHub.
Quantum Random Access Codes Implementation for Resource Allocation and Coexistence with Classical Telecommunication
Authors: Ribezzo Domenico , Salazar Roberto , Czartowski Jakub , Segur Flora , Lemmi Gianmarco , Petitjean Antoine , Farrugia Noel , Xuereb André , Bacco Davide , Zavatta Alessandro 
Published: December 2023

AbstractIn a world where Quantum Networks are rapidly becoming a reality, the development of the Quantum Internet is gaining increasing interest. Nevertheless, modern quantum networks are still in the early stages of development and have limited capacity to distribute resources among different users – a constraint that needs to be taken into account. In this work, it aims to investigate these constraints, using a novel setup for implementing Quantum Random Access Codes (QRACs), communication protocols known for their quantum advantage over their classical counterparts and semi‐ device‐independent self‐testing applications. The QRAC states, made for the first time using weak coherent pulses instead of entangled single photons, allow us to experimentally test the encoding and decoding strategy from the resource allocation perspective. Moreover, by emulating a coexistent classical communication, it test the resilience of the implementation in presence of noise. The achieved results represent a significant milestone both for theoretical studies of quantum resource allocation and for the implementation of quantum infrastructures capable of coexisting with regular telecommunication networks.
Design, Synthesis, and Molecular Docking Studies of Integrated Benzylidenethiazolidine‐2,4‐Dione and Thieno[2,3‐d]pyrimidine‐6‐Carboxylate Derivatives as Potent Antidiabetic agents
Authors: Nagaraju Begari , Rajeswari Muthirevula , Vedasree Nalluri , Rao Chippada Appa , Srinivasa Vulichi R. , Prabha Thangavelu , Rao Chunduri Venkata , Maddila Suresh 
Published: December 2023

AbstractThe present work describes the synthesis of new series of 5‐arylidene‐thiazolidine‐2,4‐dione, thieno[2,3‐d]pyrimidine‐6‐carboxylate derivatives 9 a–o. A variety of spectroscopic techniques like IR, 13CNMR, 1HNMR and LCMS were used to establish the presence of the every synthesized scaffold. The antioxidant activity of the target compounds has been studied by three different methods indicated the significant DPPH, NO and H2O2. Further, all the derivatives were evaluated for the in vitro antidiabetic potential against human pancreatic α‐amylase (PDB ID: 5NN3) and human lysosomal acid α‐glucosidase (PDB ID: 2QV4) enzymes followed by Molecular docking studies to ascertain the binding interactions of the compounds with the enzymes. The compounds 9 b and 9 g containing methoxy groups were found to exhibit potent antidiabetic and antioxidant activity. Therefore, it was rationalized that two privileged pharmacophores i. e. aryledenethiazolidine‐2,4‐dione and thieno[2,3‐d]pyrimidine‐6‐carboxylate assimilated hybrids, may be beneficial as lead template for the advance of future anti‐diabetic agents. Thus, benzylidenethiazolidine‐2,4‐dione and thieno[2,3‐d], the two preferred pharmacophores, were rationalized. Assimilation of ‐pyrimidine‐6‐carboxylate hybrids could be advantageous as a lead template for the development of new anti‐diabetic drugs.
Amorphous Vanadium Oxides with Dual ion Storage Mechanism for High‐Performance Aqueous Zinc ion Batteries
Authors: Ma Yandong , Cao Weinan , Liu Yonghang , Li Qiulin , Cai Shinan , Bao Shu‐juan , Xu Maowen 
Published: December 2023

AbstractOwing to the extremely limited structural deformation caused by the introduction of guest ions that their rigid structure can sustain, crystalline materials typically fail owing to structural collapse when utilized as electrode materials. Amorphous materials, conversely, are more resistant to volume expansion during dynamic ion transport and can introduce a lot of defects as active sites. Here, The amorphous polyaniline‐coated/intercalated V2O5·nH2O (PVOH) nanowires are prepared by in situ chemical oxidation combined with self‐assembly strategy, which exhibited impressive electrochemical properties because of its short‐range ordered crystal structure, oxygen vacancy/defect‐rich, improved electronic channels, and ionic channels. Through in situ techniques, the energy storage mechanism of its Zn2+/H+ co‐storage is investigated and elucidated. Additionally, this work provides new insights and perspectives for the investigation and application of amorphous cathodes for aqueous zinc ion batteries.
Precise Synthesis of Organic Cocrystal Alloys with Full‐Spectrum Emission Characteristics for the Stepless Color Changing Display
Authors: Yang Jing , Ma Ying‐Xin , Zong Yi , Sun Mao , Wang Yun , Zhang Ren‐Long , Feng Jin , Wang Chuan‐Zeng , Zhuo Shu‐Ping , Zhou Jin , Shi Ying‐Li , Chen Shu‐Hai , Wang Xue‐Dong , Lin Hong‐Tao 
Published: December 2023

AbstractOrganic luminescent materials are indispensable in optoelectronic displays and solid‐state luminescence applications. Compared with single‐component, multi‐component crystalline materials can improve optoelectronic characteristics. This work forms a series of full‐spectrum tunable luminescent charge‐transfer (CT) cocrystals ranging from 400 to 800 nm through intermolecular collaborative self‐assembly. What is even more interesting is that o‐TCP‐Cor(x)‐Pe(1−x), p‐TCP‐Cor(x)‐Pe(1−x), and o‐TCP‐AN(x)‐TP(1−x) alloys are prepared based on cocrystals by doping strategies, which correspondingly achieve the stepless color change from blue (CIE [0.22, 0.44]) to green (CIE [0.16, 0.14]), from green (CIE [0.27, 0.56]) to orange (CIE [0.58, 0.42]), from yellow (CIE [0.40, 0.57]) to red (CIE [0.65, 0.35]). The work provides an efficient method for precisely synthesizing new luminescent organic semiconductor materials and lays a solid foundation for developing advanced organic solid‐state displays.
Multi‐Enzyme Activity of MIL‐101 (Fe)‐Derived Cascade Nano‐Enzymes for Antitumor and Antimicrobial Therapy
Authors: Sun Mengmeng , Wang Liling , Zhuo Yong , Xu Shengyu , Liu Hehe , Jiang Xuemei , Lu Zhiwei , Wang Xianxiang , Wang Yanying , Yue Guizhou , Feng Bin , Rao Hanbing , Wu De 
Published: December 2023

AbstractThe clinical application of oncology therapy is hampered by high glutathione concentrations, hypoxia, and inefficient activation of cell death mechanisms in cancer cells. In this study, Fe and Mo bimetallic sulfide nanomaterial (FeS2@MoS2) based on metal‐organic framework structure is rationally prepared with peroxidase (POD)‐, catalase (CAT)‐, superoxide dismutase (SOD)‐like activities and glutathione depletion ability, which can confer versatility for treating tumors and mending wounds. In the lesion area, FeS2@MoS2 with SOD‐like activity can facilitate the transformation of superoxide anions (O2−) to hydrogen peroxide (H2O2), and then the resulting H2O2 serves as a substrate for the Fenton reaction with FMS to produce highly toxic hydroxyl radicals (∙OH). Simultaneously, FeS2@MoS2 has an ability to deplete glutathione (GSH) and catalyze the decomposition of nicotinamide adenine dinucleotide phosphate (NADPH) to curb the regeneration of GSH from the source. Thus it can realize effective tumor elimination through synergistic apoptosis‐ferroptosis strategy. Based on the alteration of the H2O2 system, free radical production, glutathione depletion and the alleviation of hypoxia in the tumor microenvironment, FeS2@MoS2 NPS can not only significantly inhibit tumors in vivo and in vitro, but also inhibit multidrug‐resistant bacteria and hasten wound healing. It may open the door to the development of cascade nanoplatforms for effective tumor treatment and overcoming wound infection.
Optimization Design of Thrust Characteristics of Switched Flux Linear Motor
Authors: Feng Haichao , Yang Dongqing , Xu Xiaozhuo , Gao Caixia , Ai Liwang 
Published: December 2023

AbstractThe structure of permanent magnet flux‐switching linear motor (PMFSLM) with permanent magnet and coil as short primary mover and slotted core as long secondary stator can solve the problem of high cost in the long‐stroke transportation field, but PMFSLM has the phenomenon of top magnetic flux leakage. The permanent magnet on the mover side of U‐shaped permanent magnet flux‐switching linear motor (UPM‐FSLM) is arranged in a U shape, which improves the utilization rate of the permanent magnet of the motor. In order to reduce the edge effect and suppress the thrust ripple, based on the size parameters of PMFSLM prototype, a UPM‐FSLM with arc‐shaped assistant permanent magnet teeth structure is proposed, its specific structure and operation mechanism are introduced; In order to obtain the optimal thrust characteristics, the Taguchi method is used to screen the arc‐shaped assistant permanent magnets teeth sensitive parameters, and then the NSGA II algorithm based on the response surface method is used for comprehensive multi‐objective optimization. The results show that compared with PMFSLM, the average thrust of the optimized motor is increased by 16.09%, and the thrust ripple is reduced by 91.78%. © 2023 Institute of Electrical Engineer of Japan and Wiley Periodicals LLC.