bluuebunny/crossref_metadata_2025_split huggingface dataset:
Case Studies of Dimensionality in Chemical Data
Authors: Blokhuis Alex , Pollice Robert 
Published: December 2024

AbstractThe ambition to relate intrinsic features of chemical data to the underlying chemical reaction networks (CRNs) is not new, but has experienced only modest success. This may partly be attributed to a lack of theoretical groundwork connecting idealized theory to actual experimental data with added complexity. In particular: i) many CRNs have species that cannot be directly observed experimentally; ii) the apparent number of underlying reactions is a function of the resolution of the data; iii) chemical phenomena can change the number of discernable independent processes of the data. In this work, we illustrate the application of the recently introduced concept of data dimension, which quantifies the linearly independent dimensions the system composition in a CRN can change. We perform case studies inspecting the dimensionality of chemical data characterizing CRNs, and outline how it can be used for mechanistic interpretation. In some instances, these extended considerations allow us to directly recover the CRN proposed in the literature without any fitting. This demonstrates that, with incomplete information, important clues about CRN structure can still be recovered. Additionally, our approach detects critical subtleties, preventing important candidate reactions from being discarded in mechanistic studies.
Physical activity patterns in adolescents: A longitudinal study
Authors: da Penha Freire Silva Juliana Maria , da Costa Silva Eduarda Cristina , Mendonça Gerfeson , Mota Jorge , Hallal Pedro C. , Cazuza de Farias Júnior José 
Published: December 2024

AbstractThe present study aimed at describing and comparing the physical activity (PA) patterns of adolescents from a middle‐income country over a 4‐year period. This is a longitudinal observational study (four waves of data collection, 2014–2017) with 668 adolescents aged 10–13 years in 2014 (mean age of 11.8 ± 0.8 years), of both sexes (53.3% girls), from public schools in João Pessoa, Paraíba state, Brazil. PA was measured using a questionnaire and pattern operationally defined based on the following indicators: type, frequency, duration, and PA recommendations. The most practiced physical activities during the study period were active commuting, games, dancing, cycling, soccer, and futsal. There was a linear trend to a decline in the number of adolescents engaging in nearly all the physical activities, in the duration of activities and the proportion that met the PA recommendations (52.8% in 2014 to 32.2% in 2017). The adolescents engaged in different physical activities, but these declined over the years.
Eight‐week lat pull‐down resistance training with joint instability leads to superior pull‐up endurance performance and reduced antagonist coactivation in recreationally active male college students
Authors: Li Qian , Yan Jiaqi , Qiao Minjie , Quan Jiuqing , Chen Yiqing , Gong Mingxin , Niu Wenxin , Wang Lejun 
Published: December 2024

AbstractThis study aimed to investigate the effects of an 8‐week lat pull‐down resistance training program with joint instability on pull‐up performance in male college students. Thirty‐four healthy recreationally active male college students were randomly assigned to either the joint instability resistance training (IRT) or traditional resistance training (TRT) group. Participants of the TRT and IRT groups performed lat pull‐down training on stable and joint instability conditions for 8 weeks, respectively. Pull‐up endurance (number of repetitions), anthropometry, lat pull‐down maximal voluntary isometric contraction (MVIC) peak force, and movement stability of performing unstable lat pull‐down were tested before and after the 8‐week training. Surface electromyography of biceps brachii (BB), triceps brachii (TB), brachioradialis (BR), anterior deltoid (AD), middle deltoid (MD), posterior deltoid (PD), pectoralis major (PM), and latissimus dorsi (LD) muscles were recorded during the pull‐up endurance test. The level of significance is set at p ≤ 0.05. The results demonstrated that the pull‐up endurance and lat pull‐down MVIC peak force of both IRT and TRT groups were significantly enhanced after 8‐week training compared to the pre‐training test. Notably, the number of pull‐up repetitions of the IRT group was 45.5% higher than the TRT group. These findings suggest that lat pull‐down training performed with joint instability may lead to greater improvements in pull‐up endurance compared to the stable condition, possibly attributed to enhanced muscle contraction efficiency as indicated by decreased antagonist coactivation activity.
Design of Nonstandard Waveguide Slot Array Antenna for High‐Power Applications
Authors: Vijaya Adepu , Baba V S S N Srinivasa 
Published: December 2024

ABSTRACTWaveguide slot array antennas are extensively used in radar systems, satellite communications, and wireless networks due to their high gain, low side lobe levels, and good impedance matching. Conversely, designing these antennas for high‐power scenarios with non‐standard configurations presents challenges. This paper proposes a novel Mode Matching Based Deep Neural Method (MMbDNM) to optimize the design and performance of waveguide slot array antennas. By integrating deep learning with mode‐matching techniques, the method streamlines antenna design, reducing development time and cost while maintaining high performance across multiple frequency bands. The proposed (MMbDNM) method achieves a frequency of 10.4 GHz; the antenna achieves a high coupling coefficient of 0.99, indicating efficient energy transfer between slots. The power handling capability of 0.99 W ensures robust performance under high‐power conditions, while the radiation pattern with a gain of 0.95 dB suggests effective signal propagation. Additionally, a bandwidth of 1.1 GHz allows for versatile application across a range of frequencies, contributing to the antenna's overall efficiency and adaptability. The results demonstrate improved antenna efficiency and adaptability, making it ideal for waveguide junctions used in complex electromagnetic systems.
Inequalities in the Quality and Safety of Post‐Diagnostic Primary Care for People With Dementia: A Scoping Review
Authors: Morris Charlotte , Techache Roukia , Davies Katie , Blakeman Tom , Kontopantelis Evangelos , Ashcroft Darren M. , Robinson Dame Louise 
Published: December 2024

ABSTRACTIntroductionInternational guidelines make recommendations for the delivery of safe, high‐quality primary care for people with dementia including prescribing, personalised care planning and regular holistic reviews. It is unclear how the quality and safety of this healthcare varies with socio‐economic factors.ObjectiveThis scoping review aimed to understand the depth and breadth of existing evidence exploring socio‐economic variation in the quality and safety of primary care for people with dementia.MethodsPrescribing and care planning indicators of high‐quality, safe primary care were defined from guidance. Composite and proxy markers of socio‐economic status (SES) were defined. EMBASE, MEDLINE, PsychInfo, The Cochrane Database of Systematic Reviews, worldcat.org and clinicaltrial.gov databases were searched. Studies in English, on human participants from 2006 onwards were eligible. Narrative synthesis was conducted. Studies explored how one or more selected indicators (anti‐dementia medication and anti‐psychotic prescribing, potentially inappropriate prescribing (PIP), medication review, dementia review or care planning) varied with a recognised marker of SES in people with dementia.ResultsSearches identified 1980 studies after removing duplicates. 385 full texts were reviewed, with 53 eligible for inclusion (51 quantitative, 2 reviews). Most identified studies explored prescribing processes (50 quantitative, 2 reviews), with 2 exploring annual review.There was evidence of substantial disparity in quality and safety indicators in studies exploring prescribing; 20/29 (69%) of studies exploring anti‐dementia medication prescribing found those with markers of lower SES were significantly less likely to receive these. 16/28 studies exploring PIP/Anti‐psychotics found significant disparities in safe prescribing for those with markers of lower SES. Neither study exploring annual reviews found any significant differences across SES.ConclusionWe found evidence of disparity in the quality and safety of post‐diagnostic primary care for people with dementia based on SES, particularly for a range of prescribing indicators. Further work exploring inequalities in care planning and reviews for people with dementia is needed to understand existing inequalities in the quality and safety of primary care for people with dementia.
Defining Parent Responsiveness: A Systematic Review‐Based Theoretical Model
Authors: Campi Emily , Nye Elizabeth , Baranek Grace T. 
Published: December 2024

ABSTRACTParent responsiveness to infants' cues may support attachment, mental health, and neurodevelopment. Across studies, parent responsiveness includes various behaviours (e.g., verbal responses, sensitivity, timeliness, physical proximity). Mixed evidence regarding associations between parent responsiveness and child development may be partially attributable to variable conceptualizations of parent responsiveness. Additionally, divergent perspectives on parent responsiveness may limit cross‐disciplinary collaborations, which are important to best support families in developing responsive parenting skills. Thus, the purpose of this systematic review of articles published from 1952 to 2022 was to establish a multidimensional definition of parent responsiveness. Inclusion criteria for the 463 articles included in this review were: (a) primary focus on behavioural parent responsiveness; (b) average infant age 6–18 months; and (c) in‐depth definition of parent responsiveness. We completed a qualitative content analysis of the definitions of parent responsiveness extracted from each included article. The resulting definition contains 15 dimensions of parent responsiveness across four levels of behaviour that comprehensively describe the complexity of parent‐infant interactions. This model is foundational for future studies of parent responsiveness, its impact on child development, and factors that influence parents' ability to respond to their infants' cues.
An Augmented Reality Visor for Intraoperative Visualization, Guidance, and Temperature Monitoring Using Fluorescence
Authors: Cipolato Oscar , Fauconneau Matthias , LeValley Paige J. , Nißler Robert , Suter Benjamin , Herrmann Inge K. 
Published: December 2024

ABSTRACTFluorescence‐guided surgeries, including tumor resection and tissue soldering, are advancing the frontiers of surgical precision by offering enhanced control that minimizes tissue damage, improving recovery and outcomes. However, integrating fluorescence visualization with real‐time temperature monitoring remains a challenge, limiting broader clinical use. We address this issue with an augmented reality (AR) visor that combines nanomaterial excitation, fluorescence detection, and temperature monitoring. Using advanced fluorescent nanoparticles like indocyanine green‐doped particles and carbon nanotubes, the visor provides a comprehensive view of both the surgical field and sub‐surface conditions invisible to the naked eye. This integration improves the safety and efficacy of fluorescence‐guided surgeries, including laser tissue soldering, by ensuring optimal temperatures and laser guidance in real time. The presented technology enhances existing surgical techniques and supports the development of new strategies and sensing technologies in areas where traditional methods fall short, marking significant progress in precision surgery and potentially improving patient care.
Design, Synthesis, and Evaluation of Novel 2,4‐disubstituted Pyrimidine Derivatives as Double Mutant Epidermal Growth Factor Receptor‐L858R/T790M Tyrosine Kinase Inhibitors
Authors: Ahmad Iqrar , Patel Harun 
Published: December 2024

ABSTRACTA series of 2,4‐disubstituted pyrimidine derivatives bearing 5‐substituted‐1,3,4 thidiazole were devised and synthesized based on the binding mode of the approved drug Osimertinib with the ATP competitive site of EGFR‐L858R/T790M in order to increase selectivity towards double mutant EGFR and potent antitumor activity. Their cellular bioactivity and corresponding enzyme inhibition were studied, and it was revealed that several compounds had significant biological activity and selectivity when compared to the control compounds. One of the most promising compound 8, substantially suppressed the proliferation of H1975 cells and showed significant inhibition of double mutant EGFR‐L858R/T790M TK with IC50 values of 0.170 and 0.0064 µM, respectively. Molecular mechanic simulation provides structural evidence of selective kinase inhibitory activity. Density functional theory (DFT/B3LYP) methods with the 6‐311G**++ basic basis set were used to compute the theoretical vibrational frequencies and optimal geometric parameters. In addition, MESPs analysis, HUMO and LUMO quantum parameters of the most active compound 8 were calculated, and the results were viewed.
Histopathologic and Antioxidant Regulatory Effects of Different Doses of Thymoquinone Against 2,4,6‐Trinitrobenzene Sulfonic Acid‐Induced Experimental Colitis in Rats
Authors: Sirinyıldız Ferhat , Unay Simge , Keskin Adem 
Published: December 2024

ABSTRACTThe aim of this study was to investigate the potential role of thymoquinone in the treatment of inflammatory bowel disease (IBD) by examining the effects of various doses of thymoquinone on histopathological changes, oxidative stress, and antioxidant markers in basic stamens in a 2,4,6‐trinitrobenzene sulfonic acid (TNBS)‐induced colitis model in rats. Thirty‐two rats were divided into four groups: control, TNBS, thymoquinone‐20 (20 mg/kg), and thymoquinone‐50 (50 mg/kg) groups. The basic stamens of 32 rats were used for this experiment. Malondialdehyde, myeloperoxidase, and superoxide dismutase (inhibition rate) levels and histopathological scores (cellular infiltration, tissue integrity disruption, hemorrhagic focus, and mucosal loss) increased in the rats with TNBS, while they decreased with different thymoquinone doses. Glutathione peroxidase levels were decreased in the rats with TNBS, whereas increased with different thymoquinone doses. Furthermore, catalase levels were decreased in the rats with TNBS and increased with a 50 mg/kg thymoquinone dose. Malondialdehyde, catalase, myeloperoxidase, and superoxide dismutase (inhibition rate) levels and cell infiltration, tissue integrity disruption, and hemorrhagic focus scores detected in the thymoquinone‐50 group were not different from the healthy control group. In conclusion, thymoquinone may be considered as a potential therapeutic agent in the treatment of IBD.
Does Basis Set Superposition Error Significantly Affect Post‐CCSD(T) Corrections?
Authors: Fishman Vladimir , Semidalas Emmanouil , Shepelenko Margarita , Martin Jan M. L. 
Published: December 2024

ABSTRACTWe have investigated the title question for both a subset of the W4‐11 total atomization energies benchmark, and for the A24x8 noncovalent interactions benchmark. Overall, counterpoise corrections to post‐CCSD(T) contributions are about two orders of magnitude less important than those to the CCSD(T) interaction energy. Counterpoise corrections for connected quadruple substitutions (Q) are negligible, and or especially so. In contrast, for atomization energies, the counterpoise correction can reach about 0.05 kcal/mol for small basis sets like cc‐pVDZ, thought it rapidly tapers off with cc‐pVTZ and especially aug‐cc‐pVTZ basis sets. It is reduced to insignificance by the extrapolation of applied in both W4 and HEAT thermochemistry protocols. In noncovalent dimers, the differential BSSE on post‐CCSD(T) correlation contributions is negligible even in basis sets as small as the unpolarized split‐valence cc‐pVDZ(no d).
High Atherogenic Index of Plasma Associated With Delayed Graft Function in Living Donor Renal Transplant Recipients: A Single‐Center Study in Vietnam
Authors: Pham Thai Dung , Nguyen Thi Thu Ha , Nguyen Tri Tue , Tran Dac Tiep , Nguyen Trung Kien , Nguyen Huu Dung , Hoang Anh Trung , Tran Van Hinh , Le Viet Thang 
Published: December 2024

ABSTRACTPurposeTo determine the predictive value of the atherogenic index of plasma before transplant for delayed graft function.Patients and MethodsA cross‐sectional, longitudinal, non‐interventional, non‐controlled study of 167 patients undergoing kidney transplantation from living donors, with a mean age of 39.34 ± 11.86 years old, 53.3% male, and a pre‐transplant hemodialysis time of 14 (7–36) months. Delayed graft function was defined as decreased blood creatinine < 25% within the first 24 h compared to pre‐transplantation, and the patients needed hemodialysis in the first 7 days. The atherogenic index of plasma was calculated based on pre‐transplant plasma triglycerides and high‐density lipoprotein cholesterol concentrations.ResultsThe ratio of delayed graft function in renal transplant recipients from living donors was 13.8% (23/167 patients). Hemodialysis time, the ratio of hepatitis infection, overweight and obese, atherosclerosis, positive PRA, and acute rejection in the DGF (+) group were higher than those of the DGF (−) group, p < 0.05 and < 0.001. In particular, plasma CRP‐hs level and AIP also were higher in DGF (+) patients compared to those of DGF (−) ones, p < 0.001. Long hemodialysis time, obesity, high plasma CRP‐hs, and high AIP in pre‐transplant patients were independent factors related to DGF and had predictive value for DGF after kidney transplantation, in which AIP had good predictive value: AUC = 0.859, p < 0.001.ConclusionDelayed graft function was relatively common in renal transplant recipients from living donors. AIP before kidney transplant was a good predictor for delayed graft function.
The relationship between muscle mass changes and protein or energy intake in critically ill children: A systematic review and meta‐analysis
Authors: Stacey Lewis J. , Valla Frederic V. , Huang Chao , Comfort Paul , Chaparro Corinne Jotterand , Latten Lynne , Tume Lyvonne N. 
Published: December 2024

AbstractSurvivorship after pediatric critical illness is high in developed countries, but many suffer physical morbidities afterwards. The increasing focus on follow‐up after critical illness has led to more pediatric studies reporting muscle mass changes (using ultrasound), albeit with different results. A systematic literature review was undertaken examining muscle mass changes, assessed by ultrasound of the quadriceps femoris muscle in children who are critically ill. Secondary objectives were to determine if muscle mass was associated with protein intake and/or energy. Databases were searched in July 2024. Eligible experimental or observational studies, published from January 2010 to July 2024 and including children who are critically ill that were aged between ≥37 weeks' gestational age and 18 years who were admitted to the pediatric critical care unit were included. The Joanna Briggs Institute for observational studies critical appraisal instrument was used to assess studies for methodological quality. One hundred and thirty‐five studies were screened, and eight prospective cohort studies were included, involving 411 children. Overall, muscle mass changes reported in seven out of eight of the papers showed a pooled mean muscle mass loss of 8.9% (95% confidence interval [CI] 6.6–11.4) from baseline to days 5–7. Five of the eight publications defined muscular atrophy as a decrease in muscle mass of >10%. Using this cutoff, 92 (49.2%) children developed muscular atrophy during their PICU admission. Overall, muscle mass decreased by nearly 10% during a child's first week in PICU, with almost half of children developing muscular atrophy during their admission.
Intestinal ultrasound at diagnosis of pediatric inflammatory bowel disease compared to endoscopy
Authors: Khan Hamza Hassan , Munden Martha M. , Spence Leslie H. , Jones Richard H. , Whatley Jordan , Suppa Carmine 
Published: December 2024

AbstractObjectivesIntestinal ultrasound (IU) has emerged as an alternative to detect bowel wall inflammation. The aim of this study was to compare IU findings to clinical disease, fecal calprotectin (FC), and endoscopic findings in newly diagnosed pediatric inflammatory bowel disease (IBD) patients.MethodsThis study was a 1‐year, single‐center, prospective study. Any pediatric patient undergoing colonoscopy could be recruited. Following ileo‐colonoscopy, subjects were divided into two groups: patients diagnosed with IBD and patients without IBD. Participants had an IU within 1 month. Endoscopists and radiologists were blinded to each other. The IU findings were compared with clinical disease activity, FC, and endoscopic findings.ResultsA total of 50 subjects were enrolled in the study; 29 (58%) were females, median age was 13.5 years, and 25 (50%) were diagnosed with IBD. IU sensitivity was 76%, specificity 84%, positive predictive value (PPV) 83%, and negative predictive value (NPV) 78%. For detection of moderate to severe disease, sensitivity, specificity, PPV, and NPV were 91.3%, 86.21%, 84%, and 92.6%, respectively. A significant correlation was noted between IU and FC, Mayo score, and Simple Endoscopic Score (0.513, 0.565, and 0.731, respectively). Pediatric Ulcerative Colitis Activity Index and Pediatric Crohn's Disease Activity Index scores had Pearson correlations of 0.070 and −0.159, respectively.ConclusionsIU can be considered a screening tool for pediatric IBD. It has reasonable sensitivity, specificity, PPV, and NPV, particularly for moderate‐to‐severe disease. The severity noted on IU correlated with FC and endoscopic disease activity but did not correlate with clinical disease activity.