bluuebunny/crossref_metadata_2025_split huggingface dataset:
Performance of a Large‐Language Model in scoring construction management capstone design projects
Authors: Castelblanco Gabriel , Cruz‐Castro Laura , Yang Zhenlin 
Published: September 2024

AbstractGrading is one of the most relevant hurdles for instructors, diverting instructor's focus on the development of engaging learning activities, class preparation, and attending to students' questions. Institutions and instructors are continuously looking for alternatives to reduce educators' time required on grading, frequently, resulting in hiring teaching assistants whose inexperience and frequent rotation can lead to inconsistent and subjective evaluations. Large Language Models (LLMs) like GPT‐4 may alleviate grading challenges; however, research in this field is limited when dealing with assignments requiring specialized knowledge, complex critical thinking, subjective, and creative. This research investigates whether GPT‐4's scores correlate with human grading in a construction capstone project and how the use of criteria and rubrics in GPT influences this correlation. Projects were graded by two human graders and three training configurations in GPT‐4: no detailed criteria, paraphrased criteria, and explicit rubrics. Each configuration was tested through 10 iterations to evaluate GPT consistency. Results challenge GPT‐4's potential to grade argumentative assignments. GPT‐4's score correlates slightly better (although poor overall) with human evaluations when no additional information is provided, underscoring the poor impact of the specificity of training materials for GPT scoring in this type of assignment. Despite the LLMs' promises, their limitations include variability in consistency and reliance on statistical pattern analysis, which can lead to misleading evaluations along with privacy concerns when handling sensitive student data. Educators must carefully design grading guidelines to harness the full potential of LLMs in academic assessments, balancing AI's efficiency with the need for nuanced human judgment.
Effect of suturing in root coverage via coronally advanced flaps: A systematic review
Authors: Ariceta Alina , Chambrone Leandro , Stuhr Sandra , Couso‐Queiruga Emilio 
Published: September 2024

AbstractBackgroundTo analyze the evidence about the influence of the suturing technique and material in terms of the percentage of mean root coverage (%MRC) following root coverage therapy in teeth diagnosed with single/localized gingival recession defects (GRD) via a monolaminar coronally advanced flap.MethodsThe protocol of this systematic review was registered in PROSPERO (CRD42024514043). A literature search was conducted to identify investigations that fulfilled the eligibility criteria. Variables of interest were extracted, subsequently categorized, and qualitatively analyzed.ResultsA total of 15 randomized clinical trials, including 301 localized GRD in non‐molar sites classified as Miller class I‐II/RT1, in 253 patients were included. The studies reporting the combination of sling and single interrupted sutures, or interrupted sutures alone showed an MRC of 70.2%±16.6%, and 74.1%±0.75%, respectively. The highest MRC was observed in the studies using polyglactin 910 with a pooled value of 76.6% ± 15.3%, and monofilament materials, with a pooled MRC of 74.8%±7.1%. When the suturing diameter was evaluated, the highest pooled MRC with values of 79.1%±9.8% was observed with the use of 5‐0.ConclusionsFor the treatment of single/localized GRD in non‐molar sites via a monolaminar coronally advanced flap, the use of a combination of sling and single interrupted sutures, or single interrupted sutures, polyglactin 910 or monofilament materials, and material diameter of 5‐0 showed a higher MRC as compared to the use of expanded polytetrafluoroethylene, and silk with/without dressing, and other suture diameters.Key points
There were no differences in the percentage of root coverage achieved between the use of sling and single interrupted, versus single interrupted sutures alone on the treatment of single/localized GRD in non‐molar sites.
Polyglactin 910 and monofilament sutures resulted in a higher percentage of root coverage achieved as compared to expanded polytetrafluoroethylene, and silk with/without dressing.
The use of 5‐0 material diameter showed the highest percentage of root coverage achieved.
Plain language summaryThis study was primarily aimed at evaluating how different suturing techniques and materials could affect the percentage of root coverage in single/localized recession defects, without the use of soft tissue substitutes or autogenous soft tissue grafts. After the pooled analyses of 15 randomized clinical trials that fulfilled the inclusion criteria, we observed that the adequate selection of suturing techniques, materials, and size could lead to a higher percentage of root coverage. Specifically, the use of single interrupted with or without sling sutures at the most coronal portion, Polyglactin 910 or monofilament materials, and size of 5‐0 showed a higher percentage of root coverage as compared to the use of expanded polytetrafluoroethylene, and silk with/without dressing, and other suture diameters.
Aframomum Melegueta: Evaluation of Chronic Toxicity, HPLC Profiling, and In Vitro/In Vivo Antioxidant Assessment of Seeds Extracts
Authors: Mounia Latif , Ismail Elkoraichi , Othman El Faqer , Hicham Wahnou , Rajaa Elaaj , El Mostafa Mtairag , Mounia Oudghiri , Samira Rais 
Published: September 2024

AbstractAframomum melegueta, commonly known as grains of paradise, is a medicinal plant celebrated for its rich phytochemical content and therapeutic properties. This study evaluated the antioxidant and cytotoxic potentials of its ethanolic and methanolic extracts, both in vitro and in vivo, while also analyzing their chemical profiles. HPLC analysis identified key compounds, including gallic acid, caffeic acid, caffeine, coumarin, rutin, catechin, ferulic acid, and quercetin. Chronic toxicity assessments confirmed the safety of the extracts, with no adverse effects on animal health, particularly in liver histopathology. Cytotoxicity results indicated reduced splenocyte viability at the highest concentrations. The extracts exhibited significant antioxidant activity in DPPH•, FRP, and phosphomolybdate assays, demonstrating their effectiveness as antiradical agents. In vivo antioxidant results showed a reduction in lipid peroxidation levels in serum and liver, highlighting the extracts’ ability to mitigate oxidative stress. Additionally, the extracts provided protection against H2O2‐induced erythrocyte hemolysis and modulated NO production in peritoneal macrophages. These findings underscore the therapeutic potential of A. melegueta extracts, suggesting their promise in developing preventive strategies for oxidative stress‐related chronic diseases.
Novel α‐glucosidase Inhibitors Designed as Type 2 Diabetes Drugs by QSAR, Molecular Docking and Molecular Dynamics Simulation Methods
Authors: Tong Jianbo , Yan Jing , Zhang Yakun , Xing Xiaoyu 
Published: September 2024

AbstractDiabetes mellitus is a globally prevalent disease of significant concern. Alpha‐glucosidase has emerged as a prominent target for the treatment of type 2 diabetes. In this study, 39 α‐glucosidase inhibitors (AGIs) of tetrahydrobenzo[b]thiophene‐2‐ylurea derivatives to establish a stable and valid Topomer CoMFA model, with a cross‐validation coefficient (q2) of 0.766 and a non‐cross‐validation coefficient (r2) of 0.960. Subsequently, the ZINC15 database was used to screen the fragments, based on which 13 novel inhibitor molecules with theoretically potentially high activity were designed. Molecular docking and molecular dynamics simulations to understand the binding status of the inhibitor molecules to the target proteins showed that amino acids ASP215, GLN279 and ARG442 may form hydrogen bonds with the ligands and therefore enhance the inhibitory effect of the small molecules. Additionally, MM/PBSA calculations indicate that the newly designed molecules exhibit more stable binding modes. These molecules also demonstrate favorable ADMET properties with potential as AGIs. The findings would provide valuable guidance and a theoretical foundation for the design and development of novel AGIs.
Coupling of the Catalytic Reactions of Formate Dehydrogenase and Hydrogenase in Solution: Insights from in situ IR Spectroscopy and Computations
Authors: Waffo Armel F. T. , Wu‐Lu Meritxell , Katz Sagie , Frielingsdorf Stefan , Duffus Benjamin R. , Liedtke Jan , Leimkühler Silke , Lenz Oliver , Laun Konstantin , Mroginski Maria Andrea , Zebger Ingo 
Published: September 2024

AbstractSophisticated enzymatic systems have evolved in nature to efficiently couple distinct biochemical reactions in form of cascades. As such, they serve as reference models to understand the indirect interactions of catalytic centers. Herein, we studied, in solution, the coupling of the reactions from membrane‐bound [NiFe] hydrogenase (MBH) from Cupriavidus necator (reversible H2 splitting into H+ and e−) and the molybdenum‐dependent formate dehydrogenase from Rhodobacter capsulatus (reversible formate to CO2 interconversion). To follow their interplay via the characteristic absorptions from the MBH's active site or the respective substrate and product bands of FDH, we utilized in situ IR spectrocopy and GC(‐MS), in the absence and presence of soluble redox mediators. Coarse‐grained molecular dynamics (CGMD) computations revealed the lack of productive enzyme complexes for direct electron transfer (ET). Thus, the observed minor amounts of H2 or formate were produced from transient interactions between the two enzymes. On the contrary, the significantly increased product formation in the presence of methyl viologen can be related to the putative multiple interaction sites of the redox mediator with FDH identified by CGMD. Our study represents a proof‐of‐concept approach that can be used in the future to develop novel coupled biocatalytic systems by identifying potential ET pathways.
Soybean stand and yield impact from a fungicide seed treatment in North Carolina soybean production
Authors: Hurry J. J. , Vann R. A. , Stowe K. D , Collins G. D. , Cahoon C. W. , Anderson D. , Barrow B. , Baucom A. , Britton T. , Carleo J. , Coggins T. , Flowers P. , Gibbs A. , Gurganus R. , Hambrick T. , Huffman M. , King D. , Malloy M. , Place M. , Rhodes H. , Seitz M. , Szilvay B. , Tilley M. S. , Waters J. , Worden L. , Lux L. 
Published: September 2024

AbstractNorth Carolina soybean [Glycine max (L.) Merr.] producers have shifted to earlier planting dates as a mechanism to increase soybean yields. As growers have shifted to earlier planting dates, soybean fungicide seed treatment use has become more common. In 2020 and 2021, on‐farm research investigated the value of a fungicide seed treatment across the state. Experiments were conducted across 18 diverse production environments in North Carolina during that time. Treatments included fungicide seed treatment (fludioxonil: 2.32%, mefenoxam: 13.9%, and sedaxane: 2.32%, i.e., Vibrance Trio, a commonly used multi‐mode of action fungicide across the state and country) compared to untreated seed. Data collected included soybean stand and soybean yield. The use of a fungicide seed treatment variably affected stand, but when combined over environments, fungicide seed treated plots averaged 110,757 plants/acre as opposed to untreated plots averaging 101,570 plants/acre with significant stand protection in seven of 18 environments. When averaged across environments, fungicide seed treatment protected yield by 1.3 bu/acre which, depending on input practices and soybean selling price, would border providing a return on investment. As planting date was delayed past mid‐April, yield decreased for both fungicide treated and untreated plots. Results from this trial indicate that fungicide seed treatments can provide protection of soybean yield and stand in North Carolina although protection provided may not provide a return on investment with current input prices.
Peanut cultivar response to residual soil test potassium in North Mississippi
Authors: Zurweller Brendan , Song Yangyang , Dygert Andrew , Varco Jac , Whittenton Bryan , May Justin , Burgess Brad 
Published: September 2024

AbstractThe average U.S. peanut (Arachis hypogaea L.) yield has increased by approximately 25% with the adoption of peanut cultivar ‘Georgia‐06G’. Since this adoption, many new high yielding runner cultivars with similar yield potential have been released. However, current nutrient recommendations are based on soil tests that were developed prior to the release of Georgia‐06G. Particularly for potassium, current soil test potassium (STK) critical values were established on soil textures with relatively low cation exchange capacity (CEC) but were not validated on soil textures with high CEC. This study aimed to evaluate the growth and yield response of five recently released peanut cultivars to four STK levels ranging from very low to medium based on Mississippi State University Extension soil testing recommendations. The STK classification levels were also based on two soil series categorized with high CEC—Leeper (∼38.4 meq 100 g−1) and Marietta (∼15.9 meq 100 g−1) soil series. Cultivars Georgia‐06G, ‘Georgia‐16HO’, ‘Georgia‐18RU’, FloRun ‘331’, and ‘AU‐NPL‐17’ were evaluated in this study. No STK × variety interaction occurred, indicating similar K requirements across all varieties evaluated. However, a positive pod yield response occurred in both soil types when the average STK increased from 128 to 167 lbs ac−1 for all cultivars and site years. Critical STK values on both soils were greater than many current Extension recommendations, and the critical STK value of Leeper is greater than the Marietta soil series, likely due to the higher CEC value. These results demonstrate the need to adjust peanut STK sufficiency levels based on soil CEC. Further evaluation of modern peanut cultivar productivity response to STK sufficiency levels is needed for soils with moderate CEC.
Dimensionally Extending from 1D MX–Chain to Ladder and Nanotube Systems: Structural and Electronic Properties
Authors: Liang Hao , Otsubo Kazuya , Kitagawa Hiroshi 
Published: September 2024

AbstractMolecular one‐dimensional (1D) electron systems have attracted much attention due to their unique electronic state, physical and chemical properties derived from high‐aspect‐ratio structures. Among 1D materials, mixed‐valence halogen‐bridged transition‐metal chain complexes (MX‐chains) based on coordination assemblies are currently of particular interest because their electronic properties, such as mixed‐valence state and band gap, can be controlled by substituting components and varying configurations. In particular, chemistry has recently noted that dimensionally extending MX‐chains through organic rung ligands can introduce and modulate electronic coupling of metal atoms between chains, i. e., interchain interactions. In this review, for the first time, we highlight the recent progress on MX systems from the viewpoint of dimensionally extending from 1D chain to ladder and nanotube, mainly involving structural design and electronic properties. Overall, dimensional extension can not only tune the electronic properties of MX‐chain, but also build the unique platform for studying transport dynamics in confined space, such as proton conduction. Based on these features, we envision that the MX‐chain systems provide valuable insights into deep understanding of 1D electron systems, as well as the potential applications such as nanoelectronics.
Noncovalent Interactions in Palladium(II)‐Catalyzed Meta‐Selective C−H Functionalization: Mechanistic Insights and Origins of Regioselectivity
Authors: Oliveira Daniel A. S. , Braga Ataualpa A. C. 
Published: September 2024

AbstractThe use of noncovalent interactions to control the regioselectivity of transition metal‐catalyzed C−H functionalization of arenes has received significant attention in recent years. Herein, we present a mechanistic study based on Density Functional Theory (DFT) of palladium(II)‐catalyzed meta‐selective C−H olefination employing a noncovalent directing template. We analyze the key steps of the mechanism and discuss the origins of reaction selectivity. The role of the directing template was elucidated, demonstrating its essential function in lowering reaction barriers and controlling selectivity. Our results reveal a competition in activation between ortho‐ and meta‐C−H bonds. Contrary to the previous proposal in the literature, hydrogen bonds between the N−H bonds of the urea moiety and the carbonyl oxygen of the substrate predominantly favor ortho‐selectivity over meta‐selectivity. DFT results, alongside Quantum Theory of Atoms in Molecules (QTAIM) and Non‐Covalent Interaction Index analysis, suggest that secondary interactions between the R group linked to the urea moiety and the catalyst exert a more pronounced influence compared to the aforementioned hydrogen bonds, directing the selectivity towards the meta C‐H bond.
A Compact Implementation of Shadow on an IoT Processor
Authors: Chen Wen , Liu Wenfen , Guo Ying , Yu Bin , Liu Yusheng 
Published: September 2024

ABSTRACTShadow is a lightweight AND‐RX block cipher adapted for resource‐constrained devices. In this paper, software and hardware optimizations are proposed respectively for Shadow to enhance its implementation performance. For software optimization, this paper first proposes a data pre‐processing scheme based on the structural characteristics of the round function. It further improves the optimization effect of the barrel shifter instruction while simplifying the implementation process of the round function. Note that the optimization strategy is also applicable to other AND‐RX ciphers. Secondly, this paper proposes a new NX operation implementation scheme that can effectively reduce its instruction cycles. In round‐based architecture, experimental results show that our scheme effectively reduces code size by 24.7%, Flash consumption by 12.6%, and total instruction cycles by 25.1%. Meanwhile, in the fully unrolled architecture, our scheme reduces code size by 30.8%, Flash consumption by 29.8%, and total instruction cycles by 28.1%. For hardware optimization, this paper proposes a low‐resource implementation scheme by constructing a generic formula for NX operation. In ASIC implementation, our scheme reduces hardware resources by 72.3%. In FPGA implementation, the number of LUTs and Slices is reduced by 30% and 28.6%, respectively. Overall, the proposed optimization scheme for Shadow has better performance in hardware and software implementation.
Electrochemical Investigation of Plasma Channels During Hydraulic‐Electric Pulsed Discharges
Authors: Liu Weiji , Zhou Xin , Zhang Zhimin , Zhu Xiaohua 
Published: September 2024

ABSTRACTThe hydraulic‐electric pulsed discharge(HEPD) rock‐breaking technology is a new high‐efficiency technology that generates plasma shock waves to rupture rocks. Since the plasma channel formation mechanism involved in HEPD rock‐breaking technology is difficult to describe, there are fewer theoretical models of this technology. This paper establishes a HEPD plasma model, which integrally considers the mutual coupling between five physical fields. The multi‐physical field model realizes the whole process of plasma channels, breakdown channels, plasma shock waves, and plasma shock wave rock‐breaking during the HEPD. The changes in mass fraction, density, and diffusion flux of relevant elements in the electrochemical reaction equation of the plasma channel are comprehensively analyzed. The obtained plasma multiphysics field model shows that the interpenetration of charged ions forms the breakdown channel and plasma channel. The anion number density is related to the H‐ number density, and the decrease in H‐ number density is due to the fact that the energy in the plasma channel is not sufficient to satisfy the relevant chemical equations to continue the collision reaction. The damage to the rock by the plasma shock wave takes the form of a gradual spreading of the plasma shock wave from the center of the rock to the edges, which leads to rock fragmentation. The model has the potential to establish a link between HEPD rock‐breaking parameters and the efficiency of HEPD rock‐breaking, which could provide a practical way for the development and parameter optimization of hydraulic‐electric pulsed discharge rock‐breaking tools.
Assessing Alzheimer's disease via plasma extracellular vesicle–derived mRNA
Authors: Pham Le Hoang Phu , Chang Ching‐Fang , Tuchez Katherine , Liu Fei , Chen Yuchao 
Published: September 2024

AbstractINTRODUCTIONAlzheimer's disease (AD), the most prevalent neurodegenerative disorder globally, has emerged as a significant health concern. Recently it has been revealed that extracellular vesicles (EVs) play a critical role in AD pathogenesis and progression. Their stability and presence in various biofluids, such as blood, offer a minimally invasive window for monitoring AD‐related changes.METHODSWe analyzed plasma EV‐derived messenger RNA (mRNA) from 82 human subjects, including individuals with AD, mild cognitive impairment (MCI), and healthy controls. With next‐generation sequencing, we profiled differentially expressed genes (DEGs), identifying those associated with AD.RESULTSBased on DEGs identified in both the MCI and AD groups, a diagnostic model was established based on machine learning, demonstrating an average diagnostic accuracy of over 98% and showed a strong correlation with different AD stages.DISCUSSIONmRNA derived from plasma EVs shows significant promise as a non‐invasive biomarker for the early detection and continuous monitoring of AD.Highlights
The study conducted next‐generation sequencing (NGS) of mRNA derived from human plasma extracellular vesicles (EVs) to assess Alzheimer's disease (AD).
Profiling of plasma EV‐derived mRNA shows a significantly enriched AD pathway, indicating its potential for AD‐related studies.
The AD‐prediction model achieved a receiver‐operating characteristic area under the curve (ROC‐AUC) of more than 0.98, with strong correlation to the established Clinical Dementia Rating (CDR).
Metal‐ and Additive‐Free One‐Pot Synthesis of 2,3,5‐Trisubstituted 1,3,4‐Thiadiazines Using β‐Ketodithioesters and 2‐Bromohydrazones through a Cross‐Coupling/Cyclization Cascade
Authors: Singh Malkeet , Singh Saurabh , Shukla Gaurav , Shankar Singh Maya 
Published: September 2024

AbstractPrivileged 2,3,5‐trisubstituted 1,3,4‐thiadiazines were synthesized from readily accessible β‐ketodithioesters as a two‐atom (CS) synthon and 2‐bromohydrazones as a four‐atom (CCNN) unit through a cross‐coupling/cyclization cascade. The operationally simple metal‐ and additive‐free method shows broad substrate scope as well as high functional‐group tolerance and provides a direct route to functionalized 1,3,4‐thiadiazines that are not easily prepared by other methods. This one‐pot approach features easy‐to‐handle nontoxic reagents, high yields, gram scalability, excellent selectivity and the formation of an exocyclic double bond with Z‐stereoselectivity.