bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent Computer‐Aided Studies on Herbicides: A Short Review
Authors: Milićević Jelena , Petrović Stefan , Tošić Snežana , Vrecl Milka , Arsić Biljana 
Published: July 2024

AbstractCurrent industrial herbicides have a negative impact on the environment and have widespread resistance, so computational studies on their properties, elimination, and overcoming resistance can be helpful. On the other hand, developing new herbicides, especially bioherbicides, is slow and costly. Therefore, computational studies that guide the design and search for new herbicides that exist in various plant sources, can alleviate the pain associated with the many obstacles. This review summarizes for the first time the most recent studies on both aspects of herbicides over 10 years.
Dual‐Targeting of the HER2 Cancer Receptor with an Antibody‐Directed Enzyme and a Nanobody‐Guided MMAE Prodrug Scaffold
Authors: Smidt Jakob Melgaard , Märcher Anders , Skaanning Mads Koch , El‐Chami Kassem , Teodori Laura , Omer Marjan , Kjems Jørgen , Gothelf Kurt V. 
Published: July 2024

AbstractAntibody‐enzyme conjugates have shown potential as tissue‐specific prodrug activators by antibody‐directed enzyme prodrug therapy (ADEPT), but the approach met challenges clinically due to systemic drug release. Here, we report a novel dual‐targeting ADEPT system (DuADEPT) which is based on active cancer receptor targeting of both a trastuzumab‐sialidase conjugate (Tz‐Sia) and a highly potent sialidase‐activated monomethyl auristatin E (MMAE) prodrug scaffold. The scaffold is based on a four‐way junction of the artificial nucleic acid analog acyclic (L)‐threoninol nucleic acid ((L)‐aTNA) which at the ends of its four arms carries one nanobody targeting HER2 and three copies of the prodrug. Dual‐targeting of the constructs to two proximal epitopes of HER2 was shown by flow cytometry, and a dual‐targeted enzymatic drug release assay revealed cytotoxicity upon prodrug activation specifically for HER2‐positive cancer cells. The specific delivery and activation of prodrugs in this way could potentially be used to decrease systemic side effects and increase drug efficacy, and utilization of Tz‐Sia provides an opportunity to combine the local chemotherapeutic effect of the DuADEPT with an anticancer immune response.
Generalized lymphadenopathy in the presence of acute Epstein–Barr virus infection as the initial manifestation of systemic lupus erythematous: A case report
Authors: Jazi Kimia , Faraji Zahra , Aghaei Fateme , Shahhamzeh Alireza , Tabaraii Reihane , Masoumi Maryam 
Published: July 2024

Key Clinical MessageClinicians should carefully consider generalized lymphadenopathy, particularly post viral infections, as one of the possible systemic lupus erythematous (SLE) first signs regarding unusual joint involvements such as sacroiliitis. Late diagnosis of this autoimmune inflammatory disease, could lead to irreversible morbidity and higher mortality.AbstractLymphadenopathy could represent various etiologies, including infections, malignancies, and rheumatologic diseases. SLE is known as the great mimicker which could be presented with different first manifestations. We report a 42‐year‐old woman in the acute phase of Epstein–Barr infection, admitted with polyarticular peripheral arthritis, sacroiliitis, and generalized lymphadenopathy. She had no similar history or taken unpasteurized dairy. Nodes were soft, mobile, and tender without skin change on top. During the process, she was diagnosed with SLE and discharged with prednisolone 30 mg/day and hydroxychloroquine 400 mg/day. After 2 weeks of follow‐up, all lymphadenopathy and symptoms were diminished. This case underscores the thousand faces innate of SLE. Clinical awareness would lead to an accurate diagnosis and early intervention.
Ni/Hierarchical Zeolites Derived from Zeolites@Layered Double Hydroxides (LDHs) Composites for Furfural Hydrogenation
Authors: Maineawklang Narasiri , Iadrat Ploychanok , Pornsetmetakul Peerapol , Prasertsab Anittha , Chaipornchalerm Peeranat , Salakhum Saros , Tantisriyanurak Supakorn , Rodaum Chadatip , Wattanakit Chularat 
Published: July 2024

AbstractFurfural hydrogenation is one of the most important reactions for the transformation of biomass‐derived resources into high value‐added chemicals. To achieve a highly efficient catalytic activity of the reaction, catalysts with a high dispersion of metal nanoparticles (NPs) on solid supports are required. However, the development of highly efficient and stable catalysts is still challenging. Herein, the highly dispersed nickel nanoparticles (Ni NPs) supported on the hierarchical ZSM‐5 nanosheets (Z5‐NS) derived from the hierarchical ZSM‐5 nanosheets@NiAl‐layered double hydroxides (LDHs) composites were successfully fabricated. Remarkably, the fabricated Z5‐NS/Ni catalyst exhibited a high furfural conversion of 85 % with a yield of furfuryl alcohol of 60 %. This work illustrates the fabrication of highly metal dispersed on solid supports with high metal loading, which can enhance the catalytic performances in the hydrogenation of biomass‐derived compounds.
Inverse Isotope Kinetic Effect of the Charge Transfer Reactions of Ar+ with H2O and D2O
Authors: Zhi Yaya , Guo Qiang , Zheng Mengqi , Hu Jie , Tian Shan Xi 
Published: July 2024

AbstractHydrogen isotopic effect, as the key to revealing the origin of Earth's water, arises from the H/D mass difference and quantum dynamics at the transition state of reaction. The ion‐molecule charge‐exchange reaction between water (H2O/D2O) and argon ion (Ar+) proceeds spontaneously and promptly, where there is no transition‐state or intermediate complex. In this energetically resonant process, we find an inverse kinetic isotope effect (KIE) leading to the higher charge transfer rate for D2O, by the velocity map imaging measurements of H2O+/D2O+ products. Using the average dipole orientation capture model, we estimate the orientation angles of C2v axis of H2O/D2O relative to the Ar+ approaching direction and attribute to the difference of stereodynamics. According to the long‐distance Landau‐Zener charge transfer model, this inverse KIE could be also attributed to the density‐of‐state difference of molecular bending motion between H2O+ and D2O+ around the resonant charge transfer.
Dimerization of Full‐Length Aβ‐42 Peptide: A Comparison of Different Force Fields and Water Models
Authors: Paul Srijita , Biswas Parbati 
Published: July 2024

AbstractAmong the two isoforms of amyloid‐β i. e., Aβ‐40 and Aβ‐42, Aβ‐42 is more toxic due to its increased aggregation propensity. The oligomerization pathways of amyloid‐β may be investigated by studying its dimerization process at an atomic level. Intrinsically disordered proteins (IDPs) lack well‐defined structures and are associated with numerous neurodegenerative disorders. Molecular dynamics simulations of these proteins are often limited by the choice of parameters due to inconsistencies in the empirically developed protein force fields and water models. To evaluate the accuracy of recently developed force fields for IDPs, we study the dimerization of full‐length Aβ‐42 in aqueous solution with three different combinations of AMBER force field parameters and water models such as ff14SB/TIP3P, ff19SB/OPC, and ff19SB/TIP3P using classical MD and Umbrella Sampling method. This work may be used as a benchmark to compare the performance of different force fields for the simulations of IDPs.
The Relationship of Rumination, Worry and OCD Symptoms During Technology Supported Mindfulness Therapy for OCD
Authors: Hawley Lance L. , Lisi Diana M. , Richter Margaret A. , Selchen Steven , Rector Neil A. 
Published: July 2024

ABSTRACTBackgroundIn this study, we re‐examined data from a previous randomized controlled trial investigating ‘technology supported mindfulness’ (TSM)—an 8‐week treatment intervention for individuals experiencing OCD. The current analysis involves an examination of the longitudinal relationships between rumination, worry and OCD symptom changes during mindfulness treatment, in comparison to a waitlist control.MethodsParticipants experiencing OCD (n = 71) were randomly assigned to 8 weeks of (1) TSM or (2) waitlist control. We tested the extent to which rumination (using the Ruminative Response Scale) and worry (using the Penn State Worry Questionnaire) are associated with OCD symptom changes during the acute phase of treatment, concurrently (i.e., within the same longitudinal model).ResultsGeneralized linear model (GLM) results indicated a significant time (week 1 vs. week 8) by condition interaction involving decreased rumination in the TSM condition: F(1, 61) = 13.37, p = 0.001, partial η2 = 0.18 and observed power = 0.94. A second GLM demonstrated decreased worry in the TSM condition: F(1, 69) = 37.34, p = 0.001, partial η2 = 0.35 and observed power = 0.83. Longitudinal ‘latent difference’ structural equation analyses demonstrated a cross‐lagged association between worry (but not rumination) and OCD symptom changes.ConclusionsIndividuals in the TSM condition experienced greater reductions in rumination and worry during 8 weeks of TSM treatment compared to the waitlist control, and reduced worry predicted subsequent OCD symptom reduction.
The Mediating Role of Emotion Dysregulation in the Association Between Perfectionism and Eating Psychopathology Symptoms
Authors: Mansueto G. , Sassaroli S. , Ruggiero G. M. , Caselli G. , Nocita R. , Spada M. M. , Palmieri S. 
Published: July 2024

ABSTRACTIntroductionThis study explored the possible mediating role of emotion dysregulation in the association between perfectionism and eating psychopathology symptoms.MethodOne hundred forty‐two outpatients with eating disorders (EDs) were enrolled. Perfectionism, emotion dysregulation, ED psychopathology, anxious and depressive symptoms were assessed. Correlation, mediation and 95% bias corrected and accelerated (BCa CI) bootstrapped analyses were run.ResultsEmotion dysregulation was found to mediate the association between concern over mistakes perfectionism and restraint (indirect effect: 0.093, BCa CI: 0.001–0.02, adjusted R2 = 0.3324, p < 0.001), shape concern (indirect effect: 0.0130, BCa CI: 0.004–0.03, adjusted R2 = p < 0.001) and weight concern (indirect effect: 0.0142, BCa CI: 0.004–0.03, adjusted R2 = 0.2986, p < 0.001).ConclusionAmong ED outpatients, emotion dysregulation may be involved in the association between concern over mistakes perfectionism and persistence of eating psychopathology symptoms. Emotion dysregulation could be considered as possible therapeutic target to reduce the persistence, and severity, of eating psychopathology symptoms among ED patients with concern over mistakes perfectionism.
On the Rapid Synthesis of Reduced Graphene Oxide via Ultrasound‐Promoted Eco‐Friendly Reduction Approach and Its Effects on Physicochemical Properties
Authors: Lam Shuen , Wang Fei , Yeap Swee Pin , Teng Kah Hou , Shaw Andy , Karunamoothei Vijayakumar , Khosravi Vahid , Liu Chengyi 
Published: July 2024

AbstractThe common synthesis approach of reduced graphene oxide (rGO) using toxic reducing agents poses a threat to environmental pollution. This study used banana peel extract as a green reducing agent for the synthesis of rGO. Ultrasonication was assimilated to expedite the synthesis process. For comparison, rGO was also produced by reducing GO with hydrazine treatment under conventional stirring. Both morphological (SEM) and physicochemical (FTIR and XRD) studies have revealed that banana peel extract can reduce GO to rGO, although its reducing effect is much weaker compared to hydrazine. Despite this, the rGO produced using banana peel extract with the assimilation of ultrasonication technique has a greater interlayer spacing than that formed under the conventional stirring method. In terms of electrical properties, the electrical conductance of hydrazine‐produced rGO (5.69×10−6 S) is higher than the banana peel extract‐produced rGO (3.55×10−6 S–4.56×10−6 S). Interestingly, it was found that most of the rGO produced by banana peel extract under ultrasound assistance has higher or comparable electrical conductance compared to the rGO produced by banana peel extract under stirring method. This implies the feasibility of using short‐period ultrasound to replace conventional stirring in rGO synthesis.
Eating Disorder and Other Psychiatric Hospitalizations in New Zealand During the COVID‐19 Pandemic
Authors: Hansen Sara J. , McLay Jessica , Menkes David B. 
Published: July 2024

ABSTRACTObjectiveAn unprecedented rise in eating disorder presentations has been documented in several countries during the COVID‐19 pandemic. We explored this phenomenon by analyzing nationwide psychiatric admissions over 5 years, controlling for demographic variables.MethodsWe retrospectively analyzed all hospitalizations in New Zealand with a primary psychiatric diagnosis from 2017 to 2021, using Poisson regression to calculate admission rates by diagnosis, before and during the pandemic. Using Fisher's exact test and Poisson modeling, national data were validated against a manually collected sample of eating disorder admissions.ResultsEating disorder admissions rose significantly during the pandemic (RR 1.48, p < 0.0001), while other diagnoses remained unchanged or decreased slightly. Anorexia nervosa in 10 to 19‐year‐old females drove increases, with persistent elevations noted in the 10–14 age group. Pandemic‐associated increases were more striking for Māori (RR 2.55), the indigenous Polynesian population, compared with non‐Māori (RR 1.43).ConclusionsEating disorder hospital presentations increased during the COVID‐19 pandemic, while other psychiatric presentations to hospital remained relatively unchanged. Possible drivers include disrupted routines, barriers to healthcare access, altered social networks, and increased social media use. Clinical services require additional resources to manage the increased disease burden, especially in vulnerable pediatric and indigenous populations. Ongoing monitoring will be required to establish the time‐course of pandemic‐related clinical demand.
Integration of two‐dimensional echocardiography: A novel risk indicator for ST‐segment elevation myocardial infarction
Authors: Gao Hongli , Wang Kai , Wang Xinyi , Zeng Deli , Chen Zijun 
Published: July 2024

AbstractAimsWe aim to integrate the parameters of two‐dimensional (2D) echocardiography and identify the high‐risk population for all‐cause mortality in patients with acute ST‐segment elevation myocardial infarction (STEMI) undergoing percutaneous coronary intervention (PCI).MethodsThe study involved a retrospective cohort population with STEMI who were admitted to Yongchuan Hospital of Chongqing Medical University between January 2016 and January 2019. Baseline data were collected, including 2D echocardiography parameters and left ventricular ejection fraction (LVEF). The parameters of 2D echocardiography were subjected to cluster analysis. Logistic regression models were employed to assess univariate and multivariate adjusted odds ratios (ORs) of cluster information in relation to all‐cause mortality. Four logistic regression models were generated, utilizing cluster information, clinical variables, clinical variables in conjunction with LVEF, and clinical variables in conjunction with LVEF and cluster information as predictive variables, respectively. The area under the curve (AUC) were utilized to evaluate the incremental risk stratification value of cluster information.ResultsThe study included 633 participants with 28.8% female, a mean age of 65.68 ± 11.98 years. Over the course of a 3‐year follow‐up period, 108 (17.1%) patients experienced all‐cause mortality. Utilizing cluster analysis of 2D echocardiography parameters, the patients were categorized into two distinct clusters, with statistically significant differences observed in most clinical variables, echocardiography, and survival outcomes between the clusters. Multivariate regression analysis revealed that cluster information was independently associated with the risk of all‐cause mortality with adjusted OR 7.33 (95% confidence interval [CI] 3.99–14.06, P < 0.001). The inclusion of LVEF enhanced the predictive capacity of the model utilized with clinical variables with AUC 0.848 (95% CI 0.809–0.888) versus AUC 0.872 (95% CI 0.836–0.908) (P < 0.001), and the addition of cluster information further improved its predictive performance with AUC 0.906 (95% CI 0.878–0.934, P < 0.001). This cluster analysis was translated into a free available online calculator (https://app‐for‐mortality‐prediction‐cluster.streamlit.app/).ConclusionsThe 2D echocardiographic diagnostic information based on cluster analysis had good prognostic value for STEMI population, which was helpful for risk stratification and individualized intervention.
Evaluation of CI engine characteristics using Jatropha‐Camphor oil blends with diethyl ether as an additive
Authors: Gurusamy Manikandaraja , Subramaniyan Malarmannan 
Published: July 2024

AbstractThe compression‐ignition properties of crude Jatropha and camphor oil blends with di ethyl ether (DEE) added is covered in this research. Six fuel samples are made based on volume: 90% C70J30 with 10% diethyl ether (C70J30 + 10% DEE), 90% C30J70 with 10% di‐ethyl ether (C50J50 + 10% DEE), 70% Camphor oil with 30% crude Jatropha oil (C70J30), 50% Camphor oil with 50% crude Jatropha oil (C50J50), 30% Camphor oil with 70% crude Jatropha oil (C30750). A four‐stroke, one‐cylinder, naturally aspirated, compression‐ignition engine operating at a constant 1500 rpm with a load range of 0%–100% with a 25% interval is used for the experiment. According to test findings, the C70J30 + 10% DEE has the lowest brake‐specific energy consumption of 11.68 kJ/kWh, the maximum energy efficiency of 62.56%, and the highest thermal efficiency of 30.81%. Compared to the other biofuels examined, this puts it more in line with diesel. Additionally, blends of crude Jatropha oil and camphor oil showed at least 4.46 g/kWh of CO, 0.259 g/kWh of HC, and 74% of smoke opacity when DEE was added. However, it raises CO2 to 0.792 kg/kWh and NO to 9.54 g/kWh. The greatest peak pressure and quickest heat release are produced by adding more DEE as a fuel additive and using a larger percentage of camphor oil. It also increases the coefficient of variation of the peak pressure throughout 100 cycles. All things considered, the C70J30 + 10% DEE's CI engine features are better.
Male reproductive structures of Araucaria araucana and Wollemia nobilis (Araucariaceae, Coniferales) in light of conifer evolution
Authors: Dörken Veit Martin 
Published: July 2024

AbstractPollen cones of Araucaria araucana and Wollemia nobilis were investigated. They consist of hundreds of hyposporangiate microsporangiophores with numerous microsporangia, arranged in up to three abaxial rows. Convincing evidence was found that excludes the widely accepted sporophyll concept of coniferous microsporangiophores. It is shown that the units treated generally as sporophylls in fact represent a complex fusion product of numerous microsporangiophores (= synangia). The vasculature in the microsporangiophore may indicate that the hyposporangiate shape is derived from an ancestral perisporangiate condition. In particular, the bundle strands ending blindly in the tissue in distal parts of the scutellum can only be understood as belonging to aborted microsporangia. Transferring this concept to other conifers with hyposporangiate microsporangiophores a perisporangiate origin seems also highly likely for them. This is well supported by the fact that in usually hyposporangiate taxa occasionally perisporangiate microsporangiophores are developed. Thus, the gained results clearly indicate that each microsporangiophore corresponds to a lateral cone (= flower equivalent structure), and the entire pollen cone to a compound structure (= inflorescence equivalent structure). Thus, the evolutionary pathway of araucariaceous pollen cones fits well to the pseudanthial origin suggested previously for the male reproductive structures in other coniferous groups, e.g., Pinaceae or Taxaceae.
Scoring rules and performance, new analysis of expert judgment data
Authors: Nane Gabriela F. , Cooke Roger M. 
Published: July 2024

AbstractA review of scoring rules highlights the distinction between rewarding honesty and rewarding quality. This motivates the introduction of a scale‐invariant version of the Continuous Ranked Probability Score (CRPS) which enables statistical accuracy (SA) testing based on an exact rather than an asymptotic distribution of the density of convolutions. A recent data set of 6761 expert probabilistic forecasts for questions for which the actual values are known is used to compare performance. New insights include that (a) variance due to assessed variables dominates variance due to experts, (b) performance on mean absolute percentage error (MAPE) is weakly related to SA (c) scale‐invariant CRPS combinations compete with the Classical Model (CM) on SA and MAPE, and (d) CRPS is more forgiving with regard to SA than the CM as CRPS is insensitive to location bias.
Development steps of multimodal exercise interventions for older adults with multimorbidity: A systematic review
Authors: Forsyth Faye , Soh Chien Lin , Elks Natasha , Lin Helen , Bailey Kris , Brooman‐White Rosalie , Rowbotham Scott , Mant Jonathan , Hartley Peter , Deaton Christi 
Published: July 2024

AbstractBackground and AimsMulticomponent exercise interventions are recommended for older adults and for those with chronic diseases. While multiple programs have been tested, no one has yet explored how these programs were developed. This review set out to determine what development steps multicomponent exercise intervention studies that include older adults with multimorbidity have taken.MethodsSystematic review and narrative synthesis.ResultsOne hundred and thirty‐eight studies meeting review criteria (Population: adults ≥60 years with multimorbidity; Intervention: exercise interventions with ≥2 components; Comparator: any considered; Outcome: any considered) were retrieved. Most studies (70%) do not report intervention development actions as suggested by available guidance. Notable deviations from recommendations include limited performance of systematic review of previously published evidence, lack of engagement with theory, and few examples of design then refine.ConclusionsExercise interventions for older adults with multimorbidity do not appear to follow best practice in terms of their developing. Disregard of development recommendations risks contributing to research redundancy and/or avoidable waste, as important steps that make sure the intervention is warranted, suitable for the population in question, and tested using optimal methods and outcome measures are overlooked.