bluuebunny/crossref_metadata_2025_split huggingface dataset:
Real Structure, Magnetism and Chemical Bonding of SmSi3−x
Authors: Neziraj Teuta , Prots Yurii , Carrillo‐Cabrera Wilder , Ormeci Alim , Wirth Steffen , Fitch Andy , Burkhardt Ulrich , Grin Yuri , Schwarz Ulrich 
Published: March 2024

AbstractNew metastable SmSi3−x (x=0–0.05) is obtained by high‐pressure high‐temperature synthesis (9.5 GPa, 870–1270 K). Powder diffraction data refinements reveal that the crystal structure of SmSi3 is isotypic to that of YbSi3 (space group I4/mmm, a=7.23634(5) Å, c=11.0854(1) Å). In the crystal structure, two types of Si2 dumbbells agglomerate into layers, which embed the samarium atoms. At ambient pressure, SmSi3 decomposes exothermally upon heating into Si and SmSi2−x. Single‐crystal structure refinements of a specimen SmSi3−x (x=0.05) reveal considerable electron density, which is not accounted for by the YbSi3‐type model. The additional maxima can be assigned to disorder which affects the samarium positions and induces silicon vacancies. Scanning transmission electron microscopy experiments evidence that the disorder can be attributed to extended defects.Magnetic measurements on SmSi3−x reveal van Vleck paramagnetic behavior and antiferromagnetic ordering at low temperatures. Computations within the local spin density approximation (LSDA and LSDA+U) on the crystal structure of SmSi3 reproduce the antiferromagnetic coupling as the favored long‐range order. Quantum chemical analysis of the chemical bonding in SmSi3 reveals two‐center two‐electron bonds within the Si2 dumbbells plus a total of a little less than four electrons in lone pairs at each silicon atom.
Dehydrogenative N−N Coupling and Facile Synthesis of Cobalt Complexes Supported by Tetrazene Based Ligand: Synthesis of Quinolines and Quinazolinones via Activation of Alcohols
Authors: Kumari Sheela , Maji Ankur , Chauhan Rahul , Chaudhary Virendra K. , Kush Tapasya , Joshi Mayank , Choudhury Angshuman R. , Ghosh Kaushik 
Published: March 2024

AbstractHerein we first report the unprecedented synthesis of tetrazene‐based cobalt complexes using unusual coupling of amines via dehydrogenation. These cobalt complexes were employed for dehydrogenative coupling reactions to synthesize N‐heterocycles (quinoline, and quinazolinone). Based on control experiments and IR identification of intermediates, we proposed a plausible reaction mechanism. Synthesis protocols were utilized for preparative scale synthesis and biologically active molecule (±)‐galipinine synthesis.
The shadow of war: Parental competitive victimhood and children's contact intentions in two post‐accord societies
Authors: Counihan Dearbháile , Corbett Bethany , Tomašić Humer Jasmina , Tomovska Misoska Ana , Dautel Jocelyn B. , Taylor Laura K. 
Published: March 2024

AbstractThe effects of political violence are felt across generations; for example, extent of parental competitive victimhood (feeling that one's ingroup was relatively more victimised during the conflict) predicts adolescent's intergroup discrimination. We extend that research to children, born a generation after the height of violence. Participants were 223 family dyads with children aged 7–11 (M = 9.05, SD = 1.30; 52.4% female): Croatia (n = 82) and Republic of North Macedonia (RNM: n = 141), equally split by group status (i.e., Croatia: Croats/Serbs; RNM: Macedonian/Albanian). Parents reported on competitive victimhood while children reported on intergroup contact intentions (e.g., shared education initiatives). Moderation analysis across sites found a significant status by competitive victimhood interaction; increased parental competitive victimhood was associated with decreased contact intentions among minority, but not majority, children. We review site‐specific findings in relation to their historical context, concluding with the implications for shared education, reconciliation and peacebuilding.
A data‐driven turbulence modeling for the Reynolds stress tensor transport equation
Authors: Macedo Matheus S. S. , Cruz Matheus A. , Brener Bernardo P. , Thompson Roney L. 
Published: March 2024

AbstractThe long lasting demand for better turbulence models and the still prohibitively computational cost of high‐fidelity fluid dynamics simulations, like direct numerical simulations and large eddy simulations, have led to a rising interest in coupling available high‐fidelity datasets and popular, yet limited, Reynolds averaged Navier–Stokes simulations through machine learning (ML) techniques. Many of the recent advances used the Reynolds stress tensor or, less frequently, the Reynolds force vector as the target for these corrections. In the present work, we considered an unexplored strategy, namely to use the modeled terms of the Reynolds stress transport equation as the target for the ML predictions, employing a neural network approach. After that, we solve the coupled set of governing equations to obtain the mean velocity field. We apply this strategy to solve the flow through a square duct. The obtained results consistently recover the secondary flow, which is not present in the baseline simulations that used the model. The results were compared with other approaches of the literature, showing a path that can be useful in the seek of more universal models in turbulence.
Quality of analgesic care in labor: A cross‐sectional study of the first national register‐based benchmarking system
Authors: Tascón Padrón L. , Emrich N. L. A. , Strizek B. , Schleußner E. , Dreiling J. , Komann M. , Schuster M. , Werdehausen R. , Meissner W. , Jiménez Cruz J. 
Published: March 2024

AbstractObjectiveUnlike other types of acute pain, labor pain is considered physiological. Due to the heterogeneous management during labor, there is a lack of intention to define quality of care of peripartal analgesia. This study presents the first results of the national register for this evaluation.MethodsThis prospective cross‐sectional study, conducted in five different German level‐three hospitals, included women after vaginal childbirth between January 2020 and January 2022. A validated questionnaire was completed 24 h postpartum, including information about labor pain, satisfaction, and expectations regarding analgesia. Data were centrally recorded with obstetric records using the database of the QUIPS (Quality Improvement in Postoperative Pain Management) Project.ResultsA total of 514 women were included. On an 11‐point Numerical Rating Scale, pain intensity during labor was severe (8.68 ± 1.8) while postpartal pain was 3.9 (±2.1). The second stage of labor was considered the most painful period. Only 62.6% of the parturients obtained pharmacological support, with epidural being the most effective (reduction of 3.8 ± 2.8 points). Only epidural (odds ratio [OR] 0.22) and inhalation of nitrous oxide (OR 0.33) were protective for severe pain. In benchmarking, a relation between satisfaction, pain intensity, and the use of epidural was found; 40.7% of the women wished they had received more analgesic support during labor.ConclusionThis study highlights deficiencies in analgesic management in high‐level perinatal centers, with more than 40% of parturients considering actual practices as insufficient and wishing they had received more analgesic support, despite the availability of analgesic options. Using patient‐reported outcomes can guarantee qualitative tailored analgesic care in women.
The retinal oxygen metabolism and hemodynamics as a substitute for biochemical tests to predict nonproliferative diabetic retinopathy
Authors: Zhou Chuanqing , Zhou Zixia , Feng Ximeng , Zou Da , Zhou Yilin , Zhang Bin , Chen Jiabao , Wang Fei , Liao Dingying , Li Jinying , Jin Zi , Ren Qiushi 
Published: March 2024

AbstractPredicting the occurrence of nonproliferative diabetic retinopathy (NPDR) using biochemical parameters is invasive, which limits large‐scale clinical application. Noninvasive retinal oxygen metabolism and hemodynamics of 215 eyes from 73 age‐matched healthy subjects, 90 diabetic patients without DR, 40 NPDR, and 12 DR with postpanretinal photocoagulation were measured with a custom‐built multimodal retinal imaging device. Diabetic patients underwent biochemical examinations. Two logistic regression models were developed to predict NPDR using retinal and biochemical metrics, respectively. The predictive model 1 using retinal metrics incorporated male gender, insulin treatment condition, diastolic duration, resistance index, and oxygen extraction fraction presented a similar predictive power with model 2 using biochemical metrics incorporated diabetic duration, diastolic blood pressure, and glycated hemoglobin A1c (area under curve: 0.73 vs. 0.70; sensitivity: 76% vs. 68%; specificity: 64% vs. 62%). These results suggest that retinal oxygen metabolic and hemodynamic biomarkers may replace biochemical parameters to predict the occurrence of NPDR .
Subperiosteal delivery of transforming growth factor beta 1 and human growth hormone from mineralized PCL films
Authors: Parlato Matthew B. , Lee Jae Sung , Belair David G. , Fontana Gianluca , Leiferman Ellen , Hanna Rewais , Chamberlain Connie , Ranheim Erik A. , Murphy William L. , Halanski Matthew A. 
Published: March 2024

AbstractThe ability to locally deliver bioactive molecules to distinct regions of the skeleton may provide a novel means by which to improve fracture healing, treat neoplasms or infections, or modulate growth. In this study, we constructed single‐sided mineral‐coated poly‐ε‐caprolactone membranes capable of binding and releasing transforming growth factor beta 1 (TGF‐β1) and human growth hormone (hGH). After demonstrating biological activity in vitro and characterization of their release, these thin bioabsorbable membranes were surgically implanted using an immature rabbit model. Membranes were circumferentially wrapped under the periosteum, thus placed in direct contact with the proximal metaphysis to assess its bioactivity in vivo. The direct effects on the metaphyseal bone, bone marrow, and overlying periosteum were assessed using radiography and histology. Effects of membrane placement at the tibial growth plate were assessed via physeal heights, tibial growth rates (pulsed fluorochrome labeling), and tibial lengths. Subperiosteal placement of the mineralized membranes induced greater local chondrogenesis in the plain mineral and TGF‐β1 samples than the hGH. More exuberant and circumferential ossification was seen in the TGF‐β1 treated tibiae. The TGF‐β1 membranes also induced hypocellularity of the bone marrow with characteristics of gelatinous degeneration not seen in the other groups. While the proximal tibial growth plates were taller in the hGH treated than TGF‐β1, no differences in growth rates or overall tibial lengths were found. In conclusion, these data demonstrate the feasibility of using bioabsorbable mineral coated membranes to deliver biologically active compounds subperiosteally in a sustained fashion to affect cells at the insertion site, bone marrow, and even growth plate.
Hot avulsion versus argon plasma coagulation for the management of the non‐ensnarable polyp: A multicenter, randomized controlled trial
Authors: Attree Chloe , Ogra Ravinder , Yusoff Ian F , Moss Alan , Jacques Angela , Brown Gregor , Alexander Sina , Efthymiou Marios , Raftopoulos Spiro 
Published: March 2024

AbstractBackground and AimSnare resection of nonlifting colonic lesions often requires supplemental techniques. We compared the success rates of neoplasia eradication using hot avulsion and argon plasma coagulation in colonic polyps when complete snare polypectomy had failed.MethodsPolyps that were not completely resectable by snare polypectomy were randomized to argon plasma coagulation or hot avulsion for completion of resection. Argon plasma coagulation was delivered using a forward shooting catheter, using a nontouch technique (flow 1.2 L, 35 watts). Hot avulsion was performed by grasping the neoplastic tissue with hot biopsy forceps and applying traction away from the bowel wall while using EndoCut I or soft coagulation for avulsion. Surveillance colonoscopies were performed at 6, 12, and 18 months.ResultsFrom November 2013 to July 2017, 59 patients were randomized to argon plasma coagulation (28) or hot avulsion (31). The median age was 69 (60–75), with 46% being female. The median residual tissue size was 10 mm (6–12). The residual adenoma rate at 6 months (hot avulsion 6% vs argon plasma coagulation 21% P = 0.09) and 18 months was not different between the groups (6.6% vs 3.6% P = 0.25). One patient in the argon plasma coagulation arm was diagnosed with metastatic cancer of likely colorectal origin despite benign histology in the original polypectomy specimen, supporting the importance of tissue acquisition.ConclusionBoth hot avulsion and argon plasma coagulation are effective and safe modalities to complete resection of non‐ensnarable colonic polyps.
Iron‐catalyzed intermolecular and intramolecular cyclization reactions of N‐heterocycles
Authors: Kaushik Jyoti , Jain Sonika , Kishore Dharma , Dwivedi Jaya 
Published: March 2024

AbstractN‐Heterocyclic compounds have been appealing pharmacophores in their use as drug production substrates. In this review paper, the cyclization of N‐heterocycles, using iron as a catalyst, and their mechanistic pathways have been highlighted and presented comprehensively. This paper will provide researchers with in‐depth knowledge of their approach to synthesis by employing a greener way rather than a conventional one. The present review firmly establishes that iron catalysts by their innate ability and inherent potential to acquire the four oxidation states coupled with their easy accessibility, inexpensive, and environment‐friendly nature have remained the mainstay in chemistry as the evergreen catalyst in the domain of organic synthesis. This review paper extensively explores iron‐catalyzed cyclization of N‐heterocycles, elucidating mechanistic pathways and emphasizing greener synthesis methods. Iron's versatility, accessibility, and eco‐friendliness solidify its position as a cornerstone in organic synthesis.
Infant formula ingredients: Updates for clinicians
Authors: Rodrigo Minna L. , Tymann Heidi A. , Lochen Heidi A. , Shores Darla R. 
Published: March 2024

Take Away Points

All infant formulas meet specific nutritional standards, but there are now numerous versions of formula with newer ingredients that more closely approximate breast milk.
Select infant formulas include ingredients such as human milk oligosaccharides, lactoferrin, or milk fat globule membranes, which may have additional clinical benefits.
These ingredients are considered safe in infants but there is not dosing standardization across formula companies, and they may increase cost.
Assessing adherence and comprehension of cardiovascular medicines with pharmacist intervention post‐acute myocardial infarction: a pilot study
Authors: Goni Samia , Roussety Adeline , Jovanovic Marianne 
Published: March 2024

AbstractBackgroundDue to the addition of multiple new medicines following an acute myocardial infarction (MI), medication non‐adherence occurs frequently. Medication education can improve adherence, comprehension, and health‐related outcomes. There is currently limited literature about individualised pharmacist‐led medication education post‐hospital discharge following an MI.AimTo assess whether individualised, pharmacist‐led education increased patient adherence and comprehension of cardiovascular medicines over a 12‐week period following an MI.MethodAll participants completed the Morisky Medication Assessment Scale (MMAS) of self‐reported adherence at 1 week and 12 weeks post‐hospital discharge. Alongside this, a questionnaire was completed to quantify comprehension of their treatment plan. Participants were randomised to receive individualised pharmacist‐led education directed at their medication regimen at 4–6 weeks post‐discharge. Data were analysed using paired t‐tests and mixed‐design analysis of variance (ANOVA). Ethical approval was granted by the Monash Health Human and Research Ethics Committee (Reference no: RES‐21‐0000234L) and the study conforms to the Australian National Statement on Ethical Conduct in Human Research. Informed consent was obtained from all participants via project information sheets, verbal explanations by recruiting pharmacists with reassurance there would be no difference in standard treatment should patients decline involvement in the project, and written consent forms were completed by all participants.ResultsOf the 29 participants, 15 (51%) received pharmacist‐led education. The intervention group's mean MMAS score increased from 6.7 (moderate adherence) at week 1 to 7.6 (moderate adherence) at week 12 post‐hospital discharge (p = 0.009). At 12 weeks, the intervention group demonstrated a statistically significant and greater mean MMAS score compared to the control group (7.6 moderate adherence and 6.9 moderate adherence respectively, p = 0.003). The intervention group's mean comprehension level increased from 58% at 1 week to 90% at 12 weeks (p < 0.05). The intervention group demonstrated a greater mean comprehension level at 12 weeks compared to the control group (90% and 48.21% respectively, p < 0.001).ConclusionThis pilot study demonstrated that individualised, pharmacist‐led education may improve self‐reported medication adherence and comprehension.
Kinetics of direct and water‐mediated tautomerization reactions of five‐membered cyclic amides or lactams
Authors: Würmel Judith , Simmie John M. 
Published: March 2024

AbstractAs part of a series of studies of hydrogen‐atom transfer or tautomerization reactions of imidic acid–amide species, , we report the rate constants for a set of 24 five‐membered cyclic compounds at low, 50–300 K, and high, 500–1500 K, temperatures. These rate constants are for both the high temperature direct reaction and for that mediated by an additional water molecule which facilitates the hydrogen transfer reaction at low temperatures. In the latter case we show that the rate of reaction from a pre‐reaction complex can be rapid at temperatures down to 50 K on a 1 ms timescale and is dominated by quantum mechanical effects as evaluated by small‐curvature and quantised‐reaction‐states tunnelling. In addition, we present thermochemical data such as enthalpies of formation, entropies, isobaric heat capacities and enthalpy functions for these largely unknown species which span a range of compounds from pyrolidinone to oxo‐tetrazoles.
Research on the coupled mechanism of landscape connectivity simulation by integrating multi‐level ecological security patterns and multi‐scenario simulation: A case study of the main urban area of Hangzhou
Authors: Xu Tao , Nie Wenbin , Wang Zhenguo , Yang Guofu , Zhang Yapin , Xu Bin 
Published: March 2024

AbstractIn the context of rapid urbanization, protecting landscape connectivity has become an effective measure to mitigate habitat fragmentation and curb biodiversity decline. However, in the current research on simulating optimization processes, the ecological constraints often set are dispersed, isolated, and fixed. They fail to form a comprehensive protective spatial framework and struggle to align with the multifaceted objectives of future development. This study, taking the main urban area of Hangzhou, China as a case study and employing small mammals as indicator species, utilizes the PLUS model to predict the potential threats to landscape connectivity of biological habitats posed by artificial surface expansion from 2020 to 2035. It constructs a coupled mechanism that integrates multi‐level ecological security patterns (ESPs) and multi‐scenario simulation for landscape connectivity, successfully demonstrating the effectiveness of this mechanism in future landscape connectivity preservation. The results indicate that under the scenarios of business‐as‐usual (BAU), priority given to urban development (PUD), and priority given to ecological protection (PEP), the overall level of landscape connectivity in the main urban area of Hangzhou is projected to decrease by 18.42%, 7.02%, and 4.39% respectively from 2020 to 2035. The reduction in core area is estimated to be 9.08%, 7.85%, and 6.34%, respectively, while highly important patches are expected to decrease by 12.91%, 7.51%, and 5.86%, respectively. Both PEP and PUD scenarios effectively mitigate the degree of landscape connectivity disruption. This study provides valuable insights for the future optimization of landscape connectivity and contributes to biodiversity conservation efforts.
Insight into Janus kinases specificity: From molecular architecture to cancer therapeutics
Authors: Wei Tian‐Hua , Lu Meng‐Yi , Yao Si‐Hui , Hong Yu‐Qi , Yang Jin , Zhang Meng‐Yuan , Yin Yu‐Qi , Han Yu‐Jie , Li Qing‐Qing , Wang Zi‐Xuan , Wang Yi‐Bo , Tong Zhen‐Jiang , Zhou Yun , Dai Wei‐Chen , Yu Yan‐Cheng , Sun Shan‐Liang , Yang Ye , Li Nian‐Guang , Shi Zhi‐Hao 
Published: March 2024

AbstractJanus Kinases (JAKs) play a crucial role as therapeutic targets for various cancers. However, the current JAK inhibitors (JAKi) available have limited therapeutic benefits due to their lack of selectivity. This review focuses on the structural analysis to elucidate the molecular determinants of JAKs specificity and the discovery and design of selective JAKi. It includes descriptions and comparison of different JAK structures and their binding sites, a comparative analysis of JAKi and their binding modes, detailed interaction fingerprints (IFPs), and an extensive structure‐selectivity relationship (SSRs). Moreover, the review also explores the challenges and possibilities of using computational structure‐based methods for discovering and designing selective JAKi. Other structure‐based approaches, such as targeting the pseudokinase domain, as well as covalent and allosteric designs, are also covered. Based on this analysis, key determinants corresponding to JAK specificity and rational medicinal chemistry strategies are proposed to facilitate the development of highly selective JAKi. Overall, we aim to enhance the understanding of JAK specificity and explore strategies that can lead to the discovery of effective and selective JAKi in cancer therapy, thus improving the prognosis for cancer patients.
The role of attention in the effect of facial attractiveness on time perception
Authors: Wu Weiwen , Tian Yu 
Published: March 2024

AbstractRecent research has indicated that attractive faces often cause a dilation of our time perception thus affecting physical and mental health, and speculates that this could be relevant to the fact that attractive faces capture people's attention. Nevertheless, there was no direct experimental data to support this speculation. The present work was designed to illustrate how attention affects time perception of facial attractiveness. It utilized two experiments to investigate this phenomenon. In Experiment 1, perception of timing and attention bias were assessed using a temporal reproduction task and a dot‐probe task. Increased attention bias was found to mediate the time dilation effect of facial attractiveness. Experiment 2 adopted dual‐task paradigm, combining a temporal reproduction task and attractiveness rating task, to manipulate attention allocation. The findings suggested that allocating more attention to the task requiring timing enhanced the time dilation effect caused by the faces. Results of Experiments 1 and 2 converge to show that attention plays an essential role in the effects of facial attractiveness on time perception.