bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of PET recyclability and characterization of modified reprocessed‐PET for industrial application
Authors: Kim Do Yeop , Park Tae Hyeong , Choo Ji Eun , Hwang Sung Wook
Published: April 2024

Polyethylene terephthalate (PET) is used in a variety of packaging applications, such as bottles, films, fibers, for its cost‐effective and excellent physical properties. However, the increase in plastic usage and packaging waste has become major global problems. Therefore, the importance of plastic recycling is being emphasized. In this study, the bottle‐grade PET was repeatedly melt processed up to three times to evaluate of PET recyclability. Intrinsic viscosity (IV) and mechanical properties have significantly decreased due to chain scission during the melt reprocessing. In particular, the IV of 3rP (reprocessing three times) decreased to 0.582 dL/g, and the mechanical properties decreased more than twice compared with 0rP. To enhance the physical properties of reprocessed PET (rP‐PET), it was modified using two chain extenders. The IV of the modified 3rP‐PET increased from 0.645 to 0.737 dL/g. And the tensile strength was improved up to approximately 93% of the 0rP properties, confirming the chain extension effect. Additionally, a biaxial orientation process was applied to confirm the feasibility of modified rP‐PET to various industrial packaging applications. Consequently, as the stretching ratio increased, the physical properties of modified rP‐PET improved, confirming the feasibility of rP‐PET in various packaging fields.
Melamine‐imprinted quartz crystal microbalance sensor for its detection in milk
Authors: Tiwari Mohit , Pattanayek Sudip K.
Published: April 2024

A unique and selective molecularly imprinted polymer (MIP) was fabricated to detect melamine using a quartz crystal microbalance (QCM) surface. The MIP was synthesized by sol–gel technique utilizing 3‐(trimethoxysilyl) propyl methacrylate (TMSPMA) as the functional monomer bearing the methacrylate head group. To identify the melamine, we applied a coating of the as‐synthesized MIP over the silicon crystal of the quartz crystal microbalance (QCM) detector. High‐affinity adsorption of template molecules from the aqueous solution is the basis of the detection. Adsorption experiments performed in real‐time on MIP surfaces indicate that melamine forms strong bonds with its template molecule. We have evaluated the MIP surface using contact angle, BET, RAMAN and AFM investigations regarding wettability, reactivity, surface area, and smoothness. The real‐time adsorption experiments of template molecules on the MIP substrate reveal enhanced attachments with MIP, whereas the NIP demonstrates no interactions with the template molecules. Melamine detection in tainted milk samples further validated the MIP QCM sensor effectiveness. Melamine at a concentration ranging from 1–20 mg/L is tested. Findings conclude that the polymerization method and the QCM nanosensor for selective melamine detection were adequate substitutes for the technologies currently used for detecting melamine.
Alkane molecularly imprinted nanofiber membranes used to enhance the diesel degradation process
Authors: Yang Bo , Ying Xiaoguang , Zhang Weiying , Li Xiao
Published: April 2024

Combining molecular imprinting technology with electrostatic spinning technology, a molecularly imprinted nanofiber membrane material with memory and recognition of specific imprinted molecules is thus produced. It has the advantages of high efficiency, reusability, easy amplification, and simple operation. In this study, alkane molecularly imprinted nanofibrous membranes are prepared as a carrier for immobilize Bacillus cereus LY‐1 for the degradation of diesel in oil–water system. The adsorption capacity of the molecularly imprinted material for diesel oil with n‐decyl alcohol as the template molecule reach 120.25 mg g−1, the adsorption capacity of alkane molecularly imprint nanofiber membrane prepared using polyvinyl alcohol (PVA) as the membrane substrate material is 41.37 mg g−1. After 4 days, the immobilized LY‐1 cells eliminate roughly 80.7% of the diesel at a starting concentration of 3 g L−1. The results show that imprinted structures in MINM enhance degradation by loaded microorganisms.
Evaluating wildlife tourism exposure to Florida manatees using citizen science, public interviews, and trail cameras
Authors: Brady Beth , Carroll Gabrielle , Costa Giulia , Ramos Eric Angel
Published: April 2024

Wildlife tourism often focuses on marine mammals, and the growing frequency of human interactions raises concerns about the sustainability of these activities and their impact on aquatic species. Tourists have the opportunity to view the Florida manatee (Trichechus manatus latirostris) in various locations; however, the level of tourist activity in some areas and their effects on manatees are unknown. Preliminary studies are essential to assess whether these areas warrant additional regulatory and mitigation strategies based on tourism impact.

Here, we investigated tourism activity on a site often visited by small aggregations of Florida manatees. From 2022 to 2023, interviews, citizen science, and trail cameras were used to assess watercraft activity, tourist knowledge, and the educational practices offered by watercraft rental businesses at Portosueno Park, Florida, USA.

Both trail cameras and citizen science revealed that boats were the most common visitors to the park, averaging 23 watercraft visits per week. Interviews indicated that the majority of the public did not observe the posted signs addressing manatee harassment and were unaware of the prohibition against chasing manatees, the most frequently observed form of harassment at the park.

The methods used complemented each other to elucidate tourism activity and has the potential to inform outreach efforts and mitigation strategies.
An inexpensive and lightweight dynamic cone penetrometer for the characterization of shallow submerged sediments
Authors: Parada José Manuel
Published: April 2024

Sediment compaction is an indicator of the health of benthic communities. At the same time, many of the extractive or cultivation activities on the coast take place in areas of special environmental interest and remove or compact the sediment by their own activity or simply by access on foot.

Measurements of compaction or penetration resistance of marine or river sediments are not common, especially in submerged environments. Although there are devices, such as vane testers, that can be used in non‐submerged sediments, lightweight and inexpensive devices for measuring compaction in submerged sediments are rare.

An apparatus for measuring sediment penetration resistance based on the dynamic cone penetrometers used in terrestrial environments is described and tested. The device is lightweight and inexpensive, and although it is intended for use in submerged sediments, it can also be used manually in sediments accessible by foot.

In the process of testing the apparatus, the penetration resistance values of surfaced sediments have been compared with those obtained with a vane tester to estimate compaction.

This new lightweight penetrometer provides inexpensive penetration resistance values as a measure of compaction in the sediment layer of greatest interest for the management of habitats and communities and makes it possible to establish criteria for action and to measure its effectiveness.
Effect of Secukinumab Versus Adalimumab Biosimilar on Radiographic Progression in Patients With Radiographic Axial Spondyloarthritis: Results From a Head‐to‐Head Randomized Phase IIIb Study
Authors: Baraliakos Xenofon , Østergaard Mikkel , Poddubnyy Denis , van der Heijde Désirée , Deodhar Atul , Machado Pedro M. , Navarro‐Compán Victoria , Hermann Kay Geert A. , Kishimoto Mitsumasa , Lee Eun Young , Gensler Lianne S. , Kiltz Uta , Eigenmann Marco F. , Pertel Patricia , Readie Aimee , Richards Hanno B. , Porter Brian , Braun Juergen
Published: April 2024

Objective

Spinal radiographic progression is an important outcome in radiographic axial spondyloarthritis (SpA). The objective of the phase IIIb SURPASS study was to compare spinal radiographic progression in patients with radiographic axial SpA treated with secukinumab (interleukin‐17A inhibitor) versus adalimumab biosimilar (Sandoz adalimumab [SDZ‐ADL]; tumor necrosis factor inhibitor).

Methods

Biologic‐naive patients with active radiographic axial SpA, at high risk of radiographic progression (high‐sensitivity C‐reactive protein [hsCRP] ≥5 mg/L and/or ≥1 syndesmophyte[s] on spinal radiographs), were randomized (1:1:1) to secukinumab (150/300 mg) or SDZ‐ADL (40 mg). The proportion of patients with no radiographic progression (change from baseline [CFB] in modified Stoke Ankylosing Spondylitis Spinal Score [mSASSS] ≤0.5) on secukinumab versus SDZ‐ADL at week 104 (primary endpoint), mean CFB‐mSASSS, proportion of patients with ≥1 syndesmophyte(s) at baseline with no new syndesmophyte(s), and safety were evaluated.

Results

Overall, 859 patients (78.5% male, mSASSS 16.6, Bath Ankylosing Spondylitis Disease Activity Index 7.1, hsCRP 20.4 mg/L, and 73.0% with ≥1 syndesmophyte[s]) received secukinumab 150 mg (n = 287), secukinumab 300 mg (n = 286), or SDZ‐ADL (n = 286). At week 104, the proportion of patients with no radiographic progression was 66.1%, 66.9%, and 65.6% (P = not significant, both secukinumab doses) and mean CFB‐mSASSS was 0.54, 0.55, and 0.72 in secukinumab 150 mg, secukinumab 300 mg, and SDZ‐ADL arms, respectively. Overall, 56.9%, 53.8%, and 53.3% of patients on secukinumab 150 mg, secukinumab 300 mg, and SDZ‐ADL, respectively, with ≥1 syndesmophyte(s) at baseline did not develop new syndesmophyte(s) by week 104. There were no unexpected safety findings.

Conclusion

Spinal radiographic progression over two years was low with no significant difference between secukinumab and SDZ‐ADL arms. The safety of both treatments was consistent with previous reports.
CB‐0821, a novel CC chemokine receptor 5 (CCR5) inhibitor with improved binding efficacy proposed as anti‐HIV candidate: Computational and in vitro approach
Authors: Kumar Ashish
Published: April 2024

The CC chemokine receptor 5 (CCR5) serves a pivotal role in human immunodeficiency virus 1 (HIV‐1) infection by acting as a co‐receptor and facilitating the binding of the viral envelope glycoprotein (env). Maraviroc (MVC), a Food and Drug Administration‐approved monocarboxylic acid amide, is one of the CCR5 inhibitors employed in HIV treatment. Despite the existence of approved drugs, the emergence of drug resistance underscores the necessity for novel compounds to combat resistance and enhance therapeutic efficacy. In this study, CB‐0821, identified from the ChemBridge library, emerged as a promising CCR5 inhibitor. Molecular dynamics simulations indicate comparable dynamic properties for CB‐0821 and MVC. In silico comparisons with other CCR5 inhibitors emphasize CB‐0821's superior binding affinity, positioning it as a potential lead compound. Evaluations of the dissociation constant (Ki) and absorption, distribution, metabolism, and excretion predictions suggest CB‐0821 as a well‐tolerated drug. Furthermore, the dose‐dependent inhibition of CCR5 by CB‐0821 in Peripheral blood mononuclear cells (PBMCs) (ranging from 10 to 200 nM) demonstrates efficacy, coupled with nontoxicity to Vero cells at concentrations up to 500 nM. These results underscore the potential of CB‐0821 in HIV antiviral therapy, calling for additional preclinical validations before advancing to clinical considerations.
Sustainable production of biofuels using different microbial consortia: the state of the art
Authors: Medina Jesús David Coral , Bolaños Fabio , Magalhães Antonio Irineudo , Woiciechowski Adenise Lorenci , de Carvalho Julio , Soccol Carlos Ricardo
Published: April 2024

Population growth has generated an enormous increase in demand for energy and chemicals to supply goods and services and to maintain quality of life. Oil, coal, and natural gas are the primary sources of the chemicals and energy that directly impact the economy. However, the reserves of these resources are continuously reducing. New alternatives have emerged, including biotechnological tools such as microbial consortia (MC) to produce biofuels, chemicals such as organic acids, and processed foods. The diversity of MC as a biotechnological tool allows it to be used in complex substrates, opening the possibility of using other solid waste to implement consolidated bioprocesses (CPs). This review presents an overview of the uses of MC and CP for producing biofuels using different feedstocks.
New structural–optical effect in LiF–Li2B4O7 thin‐film structures in the crystallization
Authors: Maslyuk Volodymyr , Pop Oksana , Holovey Vadym , Loya Vasyl , Svatiuk Natalia , Birov Mykhailo
Published: April 2024

The effect of optical radiation during the phase transition from the amorphous to the crystalline state of matter was investigated for the first time. The results were obtained on nanoscale films of (LiF)x(Li2B4O7)1‐x compositions by sputtering on cold Ni substrates. The starting materials for films were chosen due to their wide use for tissue‐equivalent ionizing radiation dosimetry. It is shown that the detected thermoluminescence effect is sensitive to the thickness of the films. The paper compares the results of these studies with the study of the thermoluminescence characteristics of films irradiated by an M‐30 microtron with bremsstrahlung radiation with a maximum energy of 6 MeV. The absorbed radiation dose was 1 kGy. Differences in the luminescence characteristics of irradiated and nonirradiated films were revealed. The nature of the demonstrated structural–optical effect is discussed.
Optimizing glutamine concentration enhances ex vivo expansion of natural killer cells through improved redox status
Authors: Ying Danni , Zhang Guofeng , Huang Huimin , Tan Wen‐song , Cai Haibo
Published: April 2024

Amino acids are vital components of the serum‐free medium that influence the expansion and function of NK cells. This study aimed to clarify the relationship between amino acid metabolism and expansion and cytotoxicity of NK cells. Based on analyzing the mino acid metabolism of NK‐92 cells and Design of Experiments (DOE), we optimized the combinations and concentrations of amino acids in NK‐92 cells culture medium. The results demonstrated that NK‐92 cells showed a pronounced demand for glutamine, serine, leucine, and arginine, in which glutamine played a central role. Significantly, at a glutamine concentration of 13 mM, NK‐92 cells expansion reached 161.9 folds, which was significantly higher than 55.5 folds at 2.5 mM. Additionally, under higher glutamine concentrations, NK‐92 cells expressed elevated levels of cytotoxic molecules, the level of cytotoxic molecules expressed by NK‐92 cells was increased and the cytotoxic rate was 68.42%, significantly higher than that of 58.08% under low concentration. In view of the close relationship between glutamine metabolism and intracellular redox state, we investigated the redox status within the cells. This study demonstrated that intracellular ROS levels in higher glutamine concentrations were significantly lower than those under lower concentration cultures with decreased intracellular GSH/GSSG ratio, NADPH/NADP+ ratio, and apoptosis rate. These findings indicate that NK‐92 cells exhibit improved redox status when cultured at higher glutamine concentrations. Overall, our research provides valuable insights into the development of serum‐free culture medium for ex vivo expansion of NK‐92 cells.
Tumor analysis of MMR genes in Lynch‐like syndrome: Challenges associated with results interpretation
Authors: Rofes Paula , Dueñas Núria , del Valle Jesús , Navarro Matilde , Balmaña Judith , Ramón y Cajal Teresa , Tuset Noemí , Castillo Carmen , González Sara , Brunet Joan , Capellá Gabriel , Lázaro Conxi , Pineda Marta
Published: April 2024

Background

Up to 70% of suspected Lynch syndrome patients harboring MMR deficient tumors lack identifiable germline pathogenic variants in MMR genes, being referred to as Lynch‐like syndrome (LLS). Previous studies have reported biallelic somatic MMR inactivation in a variable range of LLS‐associated tumors. Moreover, translating tumor testing results into patient management remains controversial. Our aim is to assess the challenges associated with the implementation of tumoral MMR gene testing in routine workflows.

Methods

Here, we present the clinical characterization of 229 LLS patients. MMR gene testing was performed in 39 available tumors, and results were analyzed using two variant allele frequency (VAF) thresholds (≥5% and ≥10%).

Results and Discussion

More biallelic somatic events were identified at VAF ≥ 5% than ≥10% (35.9% vs. 25.6%), although the rate of nonconcordant results regarding immunohistochemical pattern increased (30.8% vs. 20.5%). Interpretation difficulties question the current utility of the identification of MMR somatic hits in the diagnostic algorithm of suspected LS cases.
Characterization and impact of non‐canonical WNT signaling on outcomes of urothelial carcinoma
Authors: Meagher Margaret , Krause Harris , Elliott Andrew , Farrell Alex , Antonarakis Emmanuel S. , Bastos Bruno , Heath Elisabeth I. , Jamieson Christina , Stewart Tyler F. , Bagrodia Aditya , Nabhan Chadi , Oberley Matt , McKay Rana R. , Salmasi Amirali
Published: April 2024

Background

Non‐canonical WNT family (WNT5A pathway) signaling via WNT5A through ROR1 and its partner, ROR2, or Frizzled2 (FZD2) is linked to processes driving tumorigenesis and therapy resistance. We utilized a large dataset of urothelial carcinoma (UC) tumors to characterize non‐canonical WNT signaling through WNT5A, ROR1, ROR2, or FZD2 expression.

Methods

NextGen Sequencing of DNA (592 genes or WES)/RNA (WTS) was performed for 4125 UC tumors submitted to Caris Life Sciences. High and low expression of WNT5A, ROR1, ROR2, and FZD2 was defined as ≥ top and <bottom quartile of transcripts per million (TPM), respectively. Gene expression profiles were analyzed for a transcriptional signature predictive of response to immunotherapy. Mann–Whitney U and X2/Fisher Exact tests were applied where appropriate, with p‐values adjusted for multiple comparisons (p < 0.05). Real‐world overall survival (OS) was obtained from insurance claims data.

Results

WNT5A pathway gene expression varied significantly between primary versus metastatic sites: WNT5A (25.2 vs. 16.8 TPM), FZD2 (3.2 vs. 4.05), ROR1 (1.7 vs. 2.1), and ROR2 (2.4 vs. 2.6) p < 0.05 for all. Comparison of high‐ and low‐expression subgroups revealed variation in the prevalence of TP53, FGFR3, and RB1 pathogenic mutations, as well as increasing T cell‐inflamed scores as expression of the target gene increased. High gene expression for ROR2 (HR 1.31, 95% CI 1.15–1.50, p < 0.001) and FZD2 (HR 1.16, 95% CI 1.02–1.32, p = 0.024) was associated with worse OS.

Conclusion

Distinct genomic and immune landscapes for the four investigated WNT5A pathway components were observed in patients with UC. External validation studies are needed.
Concordance between vessel‐specific and vascular territory coronary functional assessment: A comparison of quantitative flow ratio and myocardial perfusion scintigraphy
Authors: Santos Luciano de Moura , Campos Carlos M. , Garcia‐Garcia Hector Manuel , Godinho Roger Renault , Lopes Maria Antonieta Albanez Medeiros , Seleme Vinícius Bocchino , Côrtes Rafael Silva , Mendes Guilherme de Albuquerque Cavalcanti , Rosa Vitor Emer Egypto , Lopes Neuza Helena Moreira , de Brito Junior Fábio Sândoli , Abizaid Alexandre Antônio Cunha
Published: April 2024

Background

Quantitative flow ratio (QFR) and myocardial perfusion scintigraphy (MPS) are utilized for assessing coronary artery disease (CAD) significance. We aimed to analyze their concordance and prognostic impact.

Aims

We aimed to analyze the concordance between QFR and MPS and their risk stratification.

Methods

Patients with invasive coronary angiography and MPS were categorized as concordant if QFR ≤ 0.80 and summed difference score (SDS) ≥ 4 or if QFR > 0.80 and SDS < 4; otherwise, they were discordant. Concordance was classified by coronary territory involvement: total (three territories), partial (two territories), poor (one territory), and total discordance (zero territories). Leaman score assessed coronary atherosclerotic burden.

Results

2010 coronary territories (670 patients) underwent joint QFR and MPS analysis. MPS area under the curve for QFR ≤ 0.80 was 0.637. Concordance rates were total (52.5%), partial (29.1%), poor (15.8%), and total discordance (2.6%). Most concordance occurred in patients without significant CAD or with single‐vessel disease (89.5%), particularly without MPS perfusion defects (91.5%). Leaman score (odds ratio [OR]: 0.839, 95% confidence interval [CI]: 0.805–0.875, p < 0.001) and MPS perfusion defect (summed stress score [SSS] ≥ 4) (OR: 0.355, 95% CI: 0.211–0.596, p < 0.001) were independent predictors for discordance. After 1400 days, no significant difference in death/myocardial infarction was observed based on MPS assessment, but Leaman score, functional Leaman score, and average QFR identified higher risk patients.

Conclusions

MPS showed good overall accuracy in assessing QFR significance but substantial discordance existed. Predictors for discordance included higher atherosclerotic burden and MPS perfusion defects (SSS ≥ 4). Leaman score, QFR‐based functional Leaman score, and average QFR provided better risk stratification for all‐cause death and myocardial infarction than MPS.
A corneal stroma circular ring captured by smartphone adaptor slit lamp camera after small incision lenticule extraction
Authors: Xu Qi‐Bin
Published: April 2024

Key Clinical Message

A corneal stroma circular ring has captured by smartphone adaptor slit lamp camera after smile for 1 week.
Saccular abdominal aortic aneurysm in adolescence with tuberous sclerosis
Authors: Umibe Takumi , Nishiori Hironobu , Koizumi Shintaro , Ikeuchi Hiroki , Matsumiya Goro
Published: April 2024

Key clinical message

Abdominal aortic aneurysm complicated by tuberous sclerosis is rare, particularly in patients over the age of 10. It is important to screen for abdominal aortic aneurysm in adolescents diagnosed with tuberous sclerosis regularly.

A 15‐year‐old girl who was diagnosed with tuberculous sclerosis complicated with a saccular aortic abdominal aneurysm (AAA), measuring 19 × 18 mm in diameter. The patient underwent open repair of AAA using a 11 mm straight prosthetic graft. It is important to screen for AAA in adolescents diagnosed with tuberous sclerosis regularly.
Theoretical Study and Virtual Screening of Nitrogen‐Containing Corrosion Inhibitors Based on Quantitative Structure–Activity Relationship
Authors: Wang Nanwei , Chen Hongyuan , Liu Zhihao , Wang Yingjie , Jian Jinli , Wen Bingqian , Chen Yanhong , Liu Yi , Wang Xingyu , Qiu Kui
Published: April 2024

Nitrogen‐containing corrosion inhibitors have a wide range of promising applications, and current conventional corrosion design and evaluation methods are largely based on empirical speculation and extensive exploratory experiments. Unfortunately, these efforts are often associated with high costs, long lead times, and a lot of “blind work.” In this work, we have computationally screened the quantum chemical parameters of five nitrogen‐containing corrosion inhibitor molecules and their corrosion inhibition properties by a molecular simulation method based on density functional theory calculations. The ultimate relationship between the corrosion inhibition efficiency (IE) of an adsorbent and its quantum chemical parameters was analyzed using linear regression by comparing the various quantum mechanical parameters of each inhibitor molecule, as well as the fraction of electrons (ΔN) that are transferred to the metal surface from the chemisorbed inhibitor molecule. Five different nitrogen‐containing corrosion inhibitor molecules were screened based on structural similarity. Meanwhile, their corrosion inhibition performance was evaluated using the most relevant structure–activity equations. The results showed that the synergistic effect between the corrosion inhibition performance and the orbital energies of highest occupied molecular orbital and lowest unoccupied molecular orbital was optimal under the HF/6‐31G(d) method, and the corresponding structure–activity relationship was established. Based on these results, a specific inhibitor molecule was found to have excellent corrosion inhibition performance with a predicted corrosion IE of up to 94.12 %.
Measurement and Modeling of the Solubility of Mebeverine Hydrochloride in Supercritical Carbon Dioxide
Authors: Sajadian Seyed Ali , Esfandiari Nadia , Saadati Ardestani Nedasadat , Amani Mitra , Estévez L. Antonio
Published: April 2024

Mebeverine hydrochloride is an important drug to treat irritable bowel syndrome. The solubility of this drug in supercritical carbon dioxide was measured at temperatures from 35 to 65 °C and pressures from 12 to 30 MPa. Results were between 2.16 and 30.2 ppm by mole. The data were correlated with density‐based models (K‐J, MST, Chrastil, Garlapati and Madras, Bartle et al., and Sparks et al.) and equations of state (Peng‐Robinson, Soave, and Estévez et al. models). The mean relative deviation and corrected correlation coefficient were used to assess the goodness of the models. Based on all ten models, Sparks et al. performed best according to average absolute relative deviation (5.64 %), and Bartle et al. was the best according to Radj (0.997). However, this contribution's main merit is the reported experimental data.
Identification of potential vascular endothelial growth factor receptor inhibitors via tree‐based learning modeling and molecular docking simulation
Authors: Arabi Nooshin , Torabi Mohammad Reza , Fassihi Afshin , Ghasemi Fahimeh
Published: April 2024

Angiogenesis, a crucial process in tumor growth, is widely recognized as a key factor in cancer progression. The vascular endothelial growth factor (VEGF) signaling pathway is important for its pivotal role in promoting angiogenesis. The primary objective of this study was to identify a powerful classifier for distinguishing compounds as active or inactive inhibitors of VEGF receptors. To build the machine learning model, compounds were sourced from the BindingDB database. A variety of common feature selection techniques, including both filter‐based and wrapper‐based methods, were applied to reduce dimensionality, subsequently, overfitting problem. Robust and accurate tree‐based classifiers were employed in the classification procedure. Application of the extra‐tree classifier using the MultiSURF* feature selection method provided a model with superior accuracy (83.7%) compared with other feature selection techniques. High‐throughput molecular docking followed by an accurate docking and comprehensive analysis of the results was performed to provide the best possible inhibitors of these receptors. Comprehensive analysis of the docking results revealed successful prediction of molecules with VEGFR1 and VEGFR2 inhibitory activity. These results emphasized that the performance of the extra‐tree model, coupled with MultiSURF* feature selection, surpassed other methods in identifying chemical compounds targeting specific VEGF receptors.
Sports field users in Minnesota support herbicide use for weed‐free recreation
Authors: Barnes Michael R. , Watkins Eric
Published: April 2024

Plain Language Summary

Weeds on sports fields pose a continuous challenge, requiring effective management to address impacts on aesthetics, playability, performance, and safety. Weed control involves various approaches, including herbicide application. However, concerns about human and environmental health have led to increased regulation. Unlike prior research on herbicide perceptions in home lawns and parks, this study focuses on sports fields. Participants preferred weed‐free fields and more effective control methods, despite acknowledging potential harms. Findings highlight the importance of aligning maintenance practices with user preferences for weed‐free surfaces and effective control methods in managing turfgrass sports fields.
Structure and Chiroptical Properties of Anthra[1,2‐a]anthracene‐1‐yl Dimers as New Biaryls
Authors: Watanabe Kota , Tsurumaki Eiji , Hasegawa Masashi , Toyota Shinji
Published: March 2024

Dimers of anthra[1,2‐a]anthracene‐1‐yl units and its mesityl derivative were synthesized by Ni(0)‐mediated coupling of the corresponding chloro derivatives as new biaryls. The X‐ray analysis and DFT calculations revealed that two polycyclic aromatic units with nonplanar deformations took a twisted conformation about the single bond as a chiral axis. Enantiomers of the nonsubstituted compound were resolved by chiral HPLC, and the enantiopure samples showed intense Cotton effects at 321 nm in the circular dichroism (CD) spectra and emission bands at 449 nm in the circularly polarized luminescence (CPL) spectra with dissymmetry factor of |glum| 3.6×10−3. The absolute stereochemistry of this biaryl was determined by the theoretical calculation of CD spectrum by the time‐dependent DFT method. The barrier to enantiomerization was determined to be 108 kJ mol−1 at 298 K. The dynamic process proceeded via a stepwise mechanism involving the helical inversion of each aromatic unit and the rotation about the biaryl axis as analyzed by the DFT calculations.
Evaluation of 2,5‐Furandicarboxylic Acid as Building Block for Unsaturated Polyester Resins
Authors: Savalia Brijesh , Rabenstein Michael , Lieske Antje , Zehm Daniel
Published: April 2024

This article presents partially bio‐based unsaturated polyester resins (UPR) based on 2,5‐furandicarboxylic acid (FDCA). Three different FDCA‐based resins are prepared, which are potentially suited as i) general purpose resin (composed of 1,2‐propylene glycol), ii) resin for pultrusion (composed of diethylene glycol and 1,2‐propylene glycol), and iii) resin for pipe liners (composed of neopentyl glycol and 1,2‐propylene glycol). The mechanical and thermal properties of the bio‐based UPR are systematically investigated and compared with analogous fossil‐based UPR composed of phthalic and isophthalic acid, signaling comparable or even better properties for the bio‐based resins depending on the application targeted.
Effect of Electrolyte Composition and Mass Transport on Electrochemical Hydrogenations of a Terminal Alkynol
Authors: Wickert Leon , Pellumbi Kevinjeorjios , Kleinhaus Julian T. , Wolf Jonas , junge Puring Kai , Siegmund Daniel , Apfel Ulf‐Peter
Published: April 2024

Electrochemical hydrogenations (EChH) constitute a sustainable alternative to conventional thermocatalytic hydrogenation. Here, we explored the EChH of the vitamin E and A synthon 2‐methyl‐3‐butyn‐2‐ol in a scalable zero‐gap electrolyzer and revealed crucial effects of electrolyte composition and convection parameters to consider for optimization. We show that high Faraday efficiencies can be achieved with low to moderate concentrations of neutral or alkaline electrolytes. While the flow rate has a strong impact on performance, electrode compression and cell orientation can be used for fine tuning. We achieved a Faraday efficiency of up to 69 % for the targeted semi‐hydrogenated product at current densities of 80 mA cm−2 at 2.2 V cell voltage and a concentration of 1 M 2‐methyl‐3‐butyn‐2‐ol.
Process Design for the Directly Coupled Production of Methanol and Formaldehyde Based on CO2
Authors: Münzer Pia , Arnold Ulrich , Sauer Jörg
Published: April 2024

Sustainable hydrogen generation is preferred over production from fossil sources in the context of a carbon‐neutral economy. As a result, production costs for CO2‐based products are estimated to be much higher than those of their fossil equivalents. Hence, it is essential to optimize process chains regarding their hydrogen efficiency. In this study, a concept for the directly coupled production of CO2‐based methanol and formaldehyde in a modified silver catalyst process is evaluated regarding the utilization of H2. Detailed simulations in Aspen Plus allow the comparison to the separately operated synthesis of green methanol and formaldehyde. By directly connecting both production steps, utilization ratios of introduced H2 and CO2 could be improved, reaching values of 98 % and 99 %, respectively.
Continuous Synthesis of Diazo Acetonitrile: From Experiments to Physical and Grey‐Box Modeling
Authors: Baldan Marco , Blauth Sebastian , Bošković Dušan , Leithäuser Christian , Mendl Alexander , Radulescu Ligia , Schwarzer Maud , Wegner Heinrich , Bortz Michael
Published: April 2024

Diazo compounds are gathering interest for their potential in promoting greener synthesis routes. We investigate, at a lab‐scale, the continuous synthesis of diazo acetonitrile (DAN) using a micro‐structured flow reactor and a flow reaction calorimeter. Data concerning DAN formation in the former, and relative to reaction heat and gas flow rate in the latter, are collected. We present a physical and a grey‐box model, both of which are calibrated to our data. Compared to the physical model, the grey‐box approach allows to better incorporate the complex chemical reaction pathways of DAN.
Electronic and Nonlinear Optical Properties of B(III)‐Submonoazaporphyrin‐π‐Diimide Compounds: A Density Functional Theory Study
Authors: Liu Ting‐Ting , Hou Na
Published: April 2024

Three hypothetical complexes were designed using diimides (PMDI, NTCDI, and PTCDI) as the acceptor unit and B(III)‐submonoazaporphyrin (1) as the donor unit. These complexes have smaller HOMO‐LUMO energy gaps (3.39–3.96 eV) than pristine 1 (6.61 eV). Further, the energy gap can be tuned by changing the number of benzene rings of these diimides. Remarkably, these proposed complexes possess considerable first hyperpolarizabilities (β0) (4865–6921 a.u.), and the regularity of the β0 values remained the same in the gas phase and toluene solvent conditions. There is an inverse relationship between the energy gap and the polarizability/first hyperpolarizability. In addition, absorption spectra, frontier molecular orbitals, and hole electron distributions were obtained using time‐dependent density functional theory calculations to emphasize the relationship between structure and properties. Ultraviolet‐Visible absorption spectra reveals that all complexes show satisfying IR working regions. Further analysis of the first hyperpolarizability density reveals the nature of the excellent NLO properties of the studied systems. This study can provide valuable insights for the development of potential high‐performance NLO molecules.
Genomic prediction of sweet sorghum agronomic performance under drought and irrigated environments in Haiti
Authors: Charles Jean Rigaud , Dorval Marie Darline , Durone Jean Bernard , Ferrão Luis Felipe Ventorim , Amadeu Rodrigo Rampazo , Munoz Patricio Ricardo , Morris Geoffrey , Meru Geoffrey , Pressoir Gael
Published: April 2024

Over the past decade, genomic selection (GS) has gained significant traction as a valuable tool for predicting the phenotypic performance in plant breeding populations and for expediting the development of new cultivars. Diverse statistical models and approaches have been developed to facilitate the integration of GS into plant breeding practices, with a growing emphasis on strategies that enhance accurate and resource‐efficient prediction. Since its inception in 2010, the sweet sorghum [Sorghum bicolor (L.) Moench] breeding program at Centre Haïtien d'Innovation en Biotechnologies et pour une Agriculture Soutenable has taken the lead in endeavors to cultivate and introduce varieties that exhibit resilience against both abiotic and biotic stresses. Among these challenges, drought stress holds particular prominence, given the reliance of growers on unpredictable rainfall patterns for successful sorghum production. The central objective of this study was to assess the predictive ability of genomic prediction models across varying environmental conditions in Haiti, employing two statistical methods. Our assessment encompassed 12 distinct sorghum traits, with genomic predictions conducted both within and across irrigated and water‐stress treatments, executed at different planting dates. Overall, the two methods showed similar results. Prediction accuracy was notably higher for within‐environment scenarios (ranging from 0.30 to 0.71) as opposed to across‐environment scenarios (ranging from 0.08 to 0.68). Furthermore, there was considerable variation in the prediction accuracy for all traits, with “total soluble solids” displaying the highest mean value (0.71), while “total stem number” exhibited the lowest (0.38). The attained genomic prediction accuracies in this study offer encouraging insights for the integration of GS strategies in small‐scale breeding programs, particularly those aimed at enhancing drought tolerance.
Characterization of Paspalum genotypes for turfgrass cultivars development
Authors: Matta Frederico de Pina , Fávero Alessandra Pereira , Vigna Bianca Baccili Zanotto , Cavallari Marcelo Mattos , Alves Fábio , Oliveira Fernanda Ancelmo de , Souza Anete Pereira de , Pozzobon Marisa Toniolo , Azevedo Ana Luisa Sousa , Gusmão Marcos Rafael
Published: April 2024

The characterization of genetic resources is essential to carry out a breeding program. This study aimed to characterize Paspalum genotypes with potential use as soil surface covering to support breeding programs on the development of turf cultivars. Forty‐three Paspalum genotypes, comprising 11 species, were evaluated. The embryo‐sacs structure was determined by cleared ovaries analysis and eight accessions were classified as sexual, 15 as apomictic, and 20 presenting facultative apomixis. Most of the genotypes have 40 chromosomes, with the exception of one accession of Paspalum vaginatum, two of Paspalum indecorum, one of Paspalum modestum, and two of Paspalum notatum that have 20 and one accession of Paspalum jesuiticum and one of Paspalum mandiocanum that have 60 chromosomes. DNA content was determined by flow cytometry, ranging from 1.35 to 4.00 pg of DNA, with most of the accessions corresponding to tetraploidy, but also diploidy and hexaploidy were found, corroborating chromosome counts. High genetic variability was found among the 43 accessions based on 11 microsatellite markers and their use to estimate Jaccard similarity coefficients and Bayesian analysis, forming six different genetic groups. Considering only the P. notatum accessions, great variability was observed with four distinct groups formed. The results presented in this work reveal the possibility to obtain assertive crosses between compatible parents, aiming to explore the genetic variability between and within species of this genus.
Persistence and relocation of dislodgable herbicide residue from simulated rainfall following glyphosate treatment to dormant zoysiagrass turf
Authors: Godara Navdeep , Craft Jordan M. , Gonçalves Clebson G. , Askew Shawn D.
Published: April 2024

The severity of herbicide injury to dormant zoysiagrass (Zoysia spp.) increases with increasing green leaves at treatment time, but injury also occurs following treatment to fully dormant zoysiagrass, especially when treatment precedes rapid shoot emergence. Research was conducted to determine the persistence of radio‐labeled glyphosate or glufosinate on dormant zoysiagrass leaves, to assess how simulated raindrop quantity affects relocation of glyphosate plus colorant to subcanopy areas, and to evaluate the response of post‐dormant zoysiagrass to glyphosate dislodged and relocated from dormant leaves via simulated rainfall, dew, or disturbance during post‐dormancy growth. When dormant zoysiagrass leaves were treated with 14C‐glufosinate or 14C‐glyphosate, 69% and 57%, respectively, of the herbicides were water extractable for 21 days. Increasing the number of simulated raindrops 0.5 cm−2 from 1 to 20 removed >95% of the applied colorant from treated dormant zoysiagrass leaves, with concomitant relocation of residue to underlying filter paper. Maximum exposure of a single subtending green shoot occurred at five simulated raindrops 0.5 cm−2, which would approximate a rainfall of 3.35 mm. Subsequently, glyphosate applied to dormant zoysiagrass plugs followed by 3 mm simulated rainfall or dew and wiping 7–9 days later, when turf had reached 15% green cover, reduced zoysiagrass clipping biomass by 35% and 72%, respectively. Glyphosate applied to dormant zoysiagrass can dislodge and injure newly developing green shoots during transition. This injury can be mitigated by irrigating 1 day after glyphosate treatment to dormant turf or ensuring that the first irrigation or rainfall following treatment is at least 12 mm.
Reduced sensor Lyapunov‐based control for active power decoupling circuit
Authors: Liu Yonglu , Yuan Yinhao , Xu Guo , Li Liting , Xiong Wenjing
Published: March 2024

The double‐line frequency ripple power exists inherently in single‐phase power converters. To address this problem, active power decoupling (APD) technique is widely used. It diverts the ripple power into a small energy storage element by introducing passive and active power devices. This inevitably involves more voltage and current sensors for corresponding control, which raises the cost while decreasing reliability and power density. In this paper, a Lyapunov‐based methodology is proposed to achieve APD control without adding any sensor. According to the designed controller laws, the practical decoupling capacitor voltage will converge to its reference. The decoupling voltage reference is given by taking into account buffering the double‐line frequency ripple power. Afterward, the robustness against parameter perturbations of the proposed method is discussed. Finally, the experimental results verify the feasibility of the proposed control strategy.
Performance of preferentially expressed antigen in melanoma (PRAME) immunohistochemistry for metastatic melanoma in cytology specimens
Authors: Saad Mohammed , Cantley Richard , Hao Wei , Wang Zixi , Thomas Dafydd , Pantanowitz Liron , Jin Xiaobing
Published: April 2024

Background

Preferentially expressed antigen in melanoma (PRAME) has been introduced as a new melanoma marker and potential target for immunotherapy. While PRAME immunohistochemistry (IHC) is well documented in surgical pathology, similar data in cytology are limited. Metastatic melanoma is frequently diagnosed via cytology samples in which IHC plays an important role. We aimed to accordingly evaluate the performance of PRAME IHC in diagnosing metastatic melanoma in cytology samples relative to other commonly used melanoma markers.

Materials and Methods

The study included 156 archival cytology cases, of which 93 were melanoma cases and 63 nonmelanoma cases (controls). All cases underwent PRAME IHC staining on cell blocks. Nuclear staining of PRAME was evaluated using a quantitative and qualitative scale. Other melanocytic IHC stain results (SOX10, S‐100, Melan‐A, and HMB45) were also documented.

Results

PRAME was detected in tumor cells in 86% of melanoma cases, which was significantly lower than SOX10 (100%) (p < .01), and similar to HMB45 (84%) and Melan‐A (82%). S‐100 had the lowest sensitivity of 71%. In comparison to other types of melanomas, spindle cell melanoma exhibited higher negativity for PRAME IHC (4/10 = 40%). PRAME was also expressed in some nonmelanocytic malignancies including carcinoma (5/22 = 23%), sarcoma (5/15 = 33%), and hematologic malignancies (1/9 = 11%). Overall, PRAME showed a sensitivity of 86%, specificity of 82%, positive predictive value of 70%, and negative predictive value of 92% for metastatic melanoma.

Conclusions

PRAME is a useful marker for the diagnosis of melanoma in cytology material, but it is less sensitive than SOX10. PRAME is also expressed in other nonmelanocytic tumors which limits its specificity.
Patients' perceptions of post‐treatment factors that influenced skill use after cognitive‐behavioral therapy for bulimia nervosa spectrum disorders
Authors: Liu Jianyi , Wang Hailing , Wetherall Lucy , Giannone Alyssa , Juarascio Adrienne
Published: April 2024

Objective

Deterioration rate among patients with bulimia‐spectrum eating disorders (BN‐EDs) after receiving enhanced cognitive‐behavioral therapy (CBT‐E) remains high. Previous studies identified body image concerns, environmental triggers, lack of social support, lack of resources, comorbidity, and discontinued skill use as predictors of deterioration. However, no studies have qualitatively explored patients' perceptions of how these factors influenced their skill use and led to deterioration after receiving outpatient CBT.

Methods

This study aimed to qualitatively explore (1) what post‐treatment factors patients believe contributed to deterioration, and (2) whether patients continued to practice the CBT skills they learned from treatment and identify motivators and barriers to post‐treatment skill use. Twelve participants who had previously completed 16 sessions of CBT for their BN‐EDs and experienced at least modest treatment responses participated in the qualitative interviews.

Results

Four themes were identified from the qualitative interviews. Post‐treatment deterioration was primarily driven by decreased skill use due to a perceived sudden loss of accountability and continued body dissatisfaction after treatment ended. Discontinued practice of binge analysis led to decreased awareness of the relationship between poor skill use and ED behaviors. Difficulty accessing resources impeded participants from receiving external help to address challenges in skill practice, thus also contributing to deterioration.

Discussion

Findings suggested that outpatient treatment for BN‐EDs patients should emphasize more on body image concern, and deterioration prevention for outpatient CBT‐E should focus on building self‐accountability to keep practicing skills after treatment ends.

Public significance

This study was the first to qualitatively explore post‐treatment factors influencing skill use and deterioration in patients with bulimia‐spectrum eating disorders after they completed outpatient CBT. Findings indicated that decreased skill use was a primary driver of post‐treatment deterioration, and that relapse prevention for outpatient CBT for BN‐EDs should focus on enhancing patients' self‐accountability to continue practicing therapeutic skills independently after treatment ended.
Direct and Stereoselective Protecting‐Group‐Free N‐ADP‐Ribosylation through Traceless Staudinger Ligation
Authors: Hagino Rui , Komura Naoko , Imamura Akihiro , Ishida Hideharu , Ando Hiromune , Tanaka Hide‐Nori
Published: April 2024

Adenine diphosphate (ADP)‐ribosylation catalyzed by bacterial toxins is the addition of an ADP‐ribose moiety to specific amino acid residues in target proteins such as arginine, asparagine, glutamine, and histidine through 1,2‐cis(α)‐glycosidic bond formation. ADP‐ribosylation modifies host cell functions, altering normal cellular processes to facilitate their survival, and replication. Despite the development of click chemistry and solid‐phase peptide synthesis‐based approaches, the synthesis of structurally well‐defined naturally occurring N‐linked ADP‐ribosyl molecules remains challenging. Herein, we report a direct and α‐selective N‐ADP‐ribosylation using unprotected β‐ADP‐ribosyl azide and triphenylphosphine esters through traceless Staudinger ligation. The stereoselectivity of this protecting‐group‐free N‐ADP‐ribosylation was validated by enzymatic degradation experiment and high‐performance liquid chromatography, referencing synthetic standards. This method facilitated the facile and rapid synthesis of N‐ADP‐ribosyl acetamide, biotin, fluorescent dye, amino acids, and tripeptide with complete α‐selectivity and moderate yields (37–55 %).