bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tillage and crop sequences for organic Cirsium arvense management in the Northern Great Plains
Authors: Larson Christian D. , Hettinger Kara , Carr Patrick M. , Miller Perry R. , Volkman McKenna , Chichinsky Daniel , Seipel Tim 
Published: June 2024

AbstractThe perennial rhizomatous weed Cirsium arvense (L.) Scop. is difficult to manage on semiarid organic farms. Our objective was to quantify the impact of eight 4‐year crop sequences crossed with standard‐ and reduced‐tillage on C. arvense occurrence (presence/absence), stem density, and aboveground biomass at two semiarid sites in Montana. The sequences represented a range of crop competition from high (multiple years of perennial forage [alfalfa, Medicago sativa L.]) to low (2 years of continuous fallow), with intermediate sequences consisting of different annual species. Final‐year spring wheat (Triticum aestivum L. emend. Thell.) was planted in all sequences to determine impacts on subsequent cash crop production. Through time, alfalfa and double fallow sequences reduced C. arvense density and biomass where it was established, although its invasion into new areas increased in the double fallow. Final‐year C. arvense occurrence and stem density were lower in the alfalfa sequence compared with six and four annual crop sequences, respectively (p < 0.05). Final year C. arvense biomass was higher at one site than the other, although not in the double fallow sequence. Wheat grain yields differed in response to crop sequences at the two sites: at one site, grain yield was lowest in the alfalfa sequence, especially when standard‐tillage was used, while yields were highest in the alfalfa and double fallow sequences at the other site. Using perennial forages in semiarid organic systems can be effective for managing C. arvense, but subsequent cash crop yield may be depressed.
Multi‐synergistic chemotherapeutic drug assemblies to activate colorectal cancer immunotherapy by modulating the multilevel immunosuppressive characteristics
Authors: Zheng Rongrong , Huang Chuyu , Zhou Hangyu , Zhao Lixin , Li Qiuyuan , Chen Guangmiao , Zhao Linping , Li Shiying 
Published: June 2024

AbstractThe life‐threatening colorectal cancer exhibits multilevel immunosuppressive characteristics, including low immunogenicity, abnormal cellular metabolism, and acidic immunosuppressive microenvironment. In this work, multi‐synergistic chemotherapeutic drug assemblies are fabricated to activate colorectal cancer immunotherapy by modulating the multilevel immunosuppressive characteristics. Without any drug excipients, the glycolysis inhibitor of lonidamine (LON), indoleamine 2,3‐dioxygenase 1 (IDO‐1) inhibitor of NLG919 (NLG), and the photosensitizer of chlorine e6 could self‐assemble into drug assemblies (LNC) with uniform nano‐size distribution and increased drug stability. Moreover, LNC could also promote cellular uptake and enhance drug penetration to enable efficient drug co‐delivery. Especially, the photodynamic therapy (PDT) of LNC could disrupt tumor cells to release tumor‐associated antigens, thus efficiently suppressing primary tumor growth and improving tumor immunogenicity. Meanwhile, LNC could also reduce the activity of IDO‐1 and attenuate the glycolysis metabolism, thereby reversing the multilevel immunosuppressive characteristics to promote T cell activation. Benefiting from the multi‐synergistic effects, LNC efficiently eradicates the primary tumor growth and also activates systemic antitumor immunity for metastatic tumor inhibition. Such a simple formulation but a multi‐synergistic strategy may accelerate the development of translational nanomedicine for colorectal cancer immunotherapy by using small molecular drug combinations.
Challenge accepted: Evolutionary lineages versus taxonomic classification of North American shrub willows (Salix)
Authors: Marinček Pia , Léveillé‐Bourret Étienne , Heiduk Ferris , Leong Jing , Bailleul Stéphane M. , Volf Martin , Wagner Natascha D. 
Published: June 2024

AbstractPremiseThe huge diversity of Salix subgenus Chamaetia/Vetrix clade in North America and the lack of phylogenetic resolution within this clade has presented a difficult but fascinating challenge for taxonomists to resolve. Here we tested the existing taxonomic classification with molecular tools.MethodsIn this study, 132 samples representing 46 species from 22 described sections of shrub willows from the United States and Canada were analyzed and combined with 67 samples from Eurasia. The ploidy levels of the samples were determined using flow cytometry and nQuire. Sequences were produced using a RAD sequencing approach and subsequently analyzed with ipyrad, then used for phylogenetic reconstructions (RAxML, SplitsTree), dating analyses (BEAST, SNAPPER), and character evolution analyses of 14 selected morphological traits (Mesquite).ResultsThe RAD sequencing approach allowed the production of a well‐resolved phylogeny of shrub willows. The resulting tree showed an exclusively North American (NA) clade in sister position to a Eurasian clade, which included some North American endemics. The NA clade began to diversify in the Miocene. Polyploid species appeared in each observed clade. Character evolution analyses revealed that adaptive traits such as habit and adaxial nectaries evolved multiple times independently.ConclusionsThe diversity in shrub willows was shaped by an evolutionary radiation in North America. Most species were monophyletic, but the existing sectional classification could not be supported by molecular data. Nevertheless, monophyletic lineages share several morphological characters, which might be useful in the revision of the taxonomic classification of shrub willows.
Metal‐Catalyzed Coupling of N‐Tosylhydrazones with Compounds Containing C−H/Heteroatom‐H Bonds
Authors: Akanksha  , Singh Ajaya K. , Asthana Anupama , Ravi Rangnath , Kishor Jha Abadh 
Published: June 2024

AbstractThe present review covers various advances in the field of metal‐catalyzed coupling of N‐tosylhydrazones with compounds containing C−H/heteroatom‐H bonds, including transition metal catalysts i. e., Pd, Rh, Cu, Ag, Ni and Co and resulting alkylated, alkenylated, alkynylated, allenylated, annulated and many other products. A metal carbene migratory insertion process play a key role in carbon‐carbon single bond (C−C) and carbon‐carbon double bond (C=C) formation and undergoes variety of cascade reactions to synthesize a wide scope of pharmaceutically and medicinally valuable scaffoldings.
Enantioselective Construction of Tetrahydroindole Skeletons by Rh‐Catalyzed [2+2+2] Cycloaddition of Homopropargyl Enamides with Alkynes
Authors: Yamashiro Kairi , Fujii Kohei , Sato Yu , Masutomi Koji , Shimotsukue Ryota , Nagashima Yuki , Tanaka Ken 
Published: June 2024

AbstractWe have developed the Rh‐catalyzed enantioselective [2+2+2] cycloaddition of homopropargyl enamides (tosylamide‐tethered 1,6‐enynes) with alkynes to construct tetrahydroindole skeletons found in natural alkaloids and pharmaceuticals. This cycloaddition proceeds at room temperature in high yields and regio‐ and enantioselectivity with a broad substrate scope. The preparative scale reaction followed by substituent conversion on the nitrogen atom and the diastereoselective [4+2] cycloaddition with singlet O2 affords hexahydroindole‐diols bearing three stereogenic centers and variable substituents on the nitrogen. Mechanistic studies have revealed that the substituents of the enynes change the ratio of intramolecular and intermolecular rhodacycle formation when using terminal alkynes, varying the ee values of the cycloadducts.
Bilateral Unsymmetrical Disulfurating Reagent Design for Polysulfide Construction
Authors: Yu Qing , Zhang XiangJin , Jiang Xuefeng 
Published: June 2024

AbstractPolysulfides are significant compounds in life science, pharmaceutical science, and materials science. Therefore, polysulfide construction is in great demand. The controllable sequential installation of groups on both ends of a S−S motif faces an enormous challenge owing to the reversible nature of the covalent S−S bond. A library was established with two divergent mask groups for bilateral unsymmetrical disulfurating reagents (R1O−SS−SO2R2). Sequential coupling with preferential activation of the S−SO2 bond (37.6 kcal/mol) and controllable activation of the S−O bond (54.8 kcal/mol) in the presence of the S−S bond (62.0 kcal/mol) enabled successive reactions at each end of the S−S motif to afford unsymmetrical disulfides and trisulfides, even for the cross‐linkage of natural products, pharmaceuticals, peptides, and a protein (bovine serum albumin).
Exploring Macroscopic Dipoles of Designed Cyclic Peptide Ordered Assemblies to Harvest Piezoelectric Properties
Authors: Mahapatra Souvik Panda , Pahan Saikat , Chatterjee Abhijit , Roy Souvik , Puneeth Kumar D. R. , Gopi Hosahudya N. 
Published: June 2024

AbstractCrystalline materials exhibiting non‐centrosymmetry and possessing substantial surface dipole moments play a critical role in piezoelectricity. Designing biocompatible self‐assembled materials with these attributes is particularly challenging when compared to inorganic materials and ceramics. In this study, we elucidate the crystal conformations of novel cyclic peptides that exhibit self‐assembly into tubular structures characterized by unidirectional hydrogen bonding and piezoelectric properties. Unlike cyclic peptides derived from alternating L‐ and D‐amino acids, those derived from new δ‐amino acids demonstrate the formation of self‐assembled tubes with unidirectional hydrogen bonds. Further, the tightly packed tubular assemblies and higher macrodipole moments result in superior piezoelectric coefficients compared to peptides with lower macrodipole moments. Our findings underscore the potential for designing cyclic peptides with unidirectional hydrogen bonds, thereby paving the way for their application in design of biocompatible piezo‐ and ferroelectric materials.
Molecular dynamics study of cross‐linking degrees effect on the aging resistance of epoxy asphalt: Insights from oxygen diffusion
Authors: Chen Fei , Min Zhaohui , Li Mingyue , Huang Wei , Wang Qichang 
Published: June 2024

AbstractTo interpret the diffusion behavior of oxygen in epoxy asphalt with different cross‐linking degrees, epoxy asphalt‐oxygen diffusion layer models were constructed. The effect of temperature on oxygen diffusion and the number of oxygen molecules penetrating the epoxy asphalt was quantitatively analyzed. Fick's second law was used to determine the oxygen diffusion coefficient. The Mean square displacement (MSD) was extracted to analyze the effect of cross‐linking degree on the molecular motion of the base asphalt. The results show that as the cross‐linking degree increases, the number of oxygen in the epoxy asphalt decreases, accompanied by a reduction in the oxygen diffusion coefficient. Temperature significantly affects the rate of oxygen diffusion, with higher temperatures leading to greater diffusion depths over the same simulation time. The oxygen diffusion coefficient of epoxy asphalt ranges from 4.60 × 10−11 to 2.20 × 10−10 m2/s at temperatures of 298–373 K. The epoxy system markedly restricts the movement of base asphalt molecules, with saturate being most affected by cross‐linking degree and asphaltene the least. A high cross‐linking network impedes the asphalt‐oxygen contact oxidation, enhancing epoxy asphalt's anti‐aging capacity. These findings provide support for optimizing epoxy asphalt formulations and guiding the development of anti‐oxidant epoxy asphalt.
Discovery of 2‐phenylquinazolines as potent Mycobacterium avium efflux pump inhibitors able to synergize with clarithromycin against clinical isolate
Authors: Cernicchi Giada , Rampacci Elisa , Massari Serena , Manfroni Giuseppe , Barreca Maria Letizia , Tabarrini Oriana , Cecchetti Violetta , Felicetti Tommaso , Di Luca Mariagrazia , Poma Noemi Violeta , Tavanti Arianna , Passamonti Fabrizio , Rindi Laura , Sabatini Stefano 
Published: June 2024

AbstractNontuberculous mycobacteria (NTM), which include the Mycobacterium avium complex, are classified as difficult‐to‐treat pathogens due to their ability to quickly develop drug resistance against the most common antibiotics used to treat NTM infections. The overexpression of efflux pumps (EPs) was demonstrated to be a key mechanism of clarithromycin (CLA) resistance in NTM. Therefore, in this work, 24 compounds from an in‐house library, characterized by chemical diversity, were tested as potential NTM EP inhibitors (EPIs) against Mycobacterium smegmatis mc2 155 and M. avium clinical isolates. Based on the acquired results, 12 novel analogs of the best derivatives 1b and 7b were designed and synthesized to improve the NTM EP inhibition activity. Among the second set of compounds, 13b emerged as the most potent NTM EPI. At a concentration of 4 µg/mL, it reduced the CLA minimum inhibitory concentration by 16‐fold against the clinical isolate M. avium 2373 overexpressing EPs as primary mechanism of CLA resistance.
Design, Green Synthesis and in silico Studies of New Substituted Naphtho[1,2‐e][1,3]Oxazines as Potential Acetylcholinesterase Inhibitors
Authors: Pouramiri Behjat , Abbasi Maryam , Hadadianpour Elahe 
Published: June 2024

AbstractAlzheimer's disease (AD) is a prevalent neurodegenerative condition characterized by progressive cognitive decline and memory impairment resulting from the degeneration and death of brain neurons. Acetylcholinesterase (AChE) inhibitors as the primary pharmacotherapy for numerous neurodegenerative conditions, leveraging their capacity to modulate acetylcholine levels crucial for cognitive function. Recently, oxazine and its derivatives have brought worthy synthetic interest due to their extensive biological activities including, anti‐acetylcholinesterase, anti‐oxidant, anti‐pyretic, anti‐tubercular, anti‐convulsant, anti‐microbial, anti‐malarial, and anti‐cancer activities. In this study, a series of novel naphtho[1,2‐e][1,3]oxazine derivatives has been designed and synthesized with potential of acetylcholinesterase (AChE) inhibition. The target products have been prepared by a one‐pot and three‐component condensation reaction of 2‐naphthol, various aromatic aldehydes, and arylmethanimine in the presence of 3‐methyl‐1‐sulfonic acid imidazolium chloride ([Msim]Cl) as an effective and recyclable ionic liquid catalyst under microwave irradiation solvent‐free condition. The chemical structures of all resulting products were confirmed by spectroscopic methods (IR, 1H‐NMR, 13C NMR) as well as elemental analysis. The molecular docking studies has also been performed to investigate the synthetic compounds in the the AChE active site gorge. The results showed that all these derivatives interact with the enzymes with high affinity in binding pocket. The MM‐GBSA studies were performed for all synthesized derivatives and among them, compound 3‐(4‐Chlorophenyl)‐1‐phenyl‐2,3‐dihydro‐1H‐naphtho[1,2‐e][1,3]oxazine 5f, showed the lowest the binding free energy (−48.04 kcal mol−1). In general, oxazine derivatives could be proposed as the strong AChE inhibitors.
Unexpected massive bleeding during the modified LeFort III advancement surgery for Crouzon syndrome: A case report
Authors: Modarresi Zahra Sadat , Hajiani Narges , Bakhtiari Zeinab , Mohammadi Farnoush 
Published: June 2024

Key Clinical MessageVigilant monitoring for postoperative complications, including bleeding and dysrhythmia, is crucial in patients with craniosynostosis syndromes like Crouzon syndrome undergoing craniofacial surgery, with a thorough evaluation, including coagulation tests, assisting in diagnosing underlying conditions such as von Willebrand disease subtype 1 to inform appropriate management strategies.AbstractCrouzon syndrome is a rare genetic disorder affecting craniofacial structures. Its etiology is the premature fusion of cranial sutures. The LeFort III advancement surgery is a commonly used approach to correct malformations related to midface hypoplasia. Complications following surgical treatment of craniosynostosis and craniofacial syndromes can include both intracranial and extracranial problems. Reporting of this syndrome and the surgery complications, in addition to consideration of other differential diagnoses, can help improve the treatment plan and surgery outcomes. The aim of the article is to report a 14‐year‐old female with Crouzon syndrome who underwent the modified LeFort III osteotomy and developed unexpected massive bleeding during the surgery. Post‐surgery, she experienced complications including dysrhythmia, hypothermia, and cyanosis. Treatment included fluid therapy, blood transfusions, and antibiotic therapy for suspected septic shock. Differential diagnosis was disseminated intravascular coagulation but was ruled out. Post‐discharge, coagulation tests suggested von Willebrand disease subtype 1 as the diagnosis. Excessive bleeding during surgery for craniosynostosis syndromes is a significant and concerning issue in the surgical management of Crouzon syndrome. For patients with von Willebrand disease who are candidates for elective surgeries, von Willebrand factor concentrates or recombinant von Willebrand factor can be used.
Recent Development of Transition Metal‐based Amorphous Electrocatalysts for Water Splitting
Authors: Lu Bowen , Gao Haohao , Hua Zile 
Published: June 2024

AbstractElectrochemical water splitting, including the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), is a promising hydrogen production technology. However, in practice, the high overpotentials and sluggish reaction kinetics associated with the anode OER process are the major obstacles to the smooth progress of electrocatalytic water splitting. Amorphous electrocatalysts, a crucial family of functional materials, exhibit unexpected performance due to their special short‐range ordered and long‐range disordered atom arrangement, abundant defect sites and adjustable composition. To date, while numerous recent publications showcase promising results for transition metal‐based amorphous electrocatalysts, including amorphous metal phosphide and metal hydroxide electrocatalysts with remarkable HER and OER properties respectively, the utilization of single‐function HER or OER catalysts tends to augment system complexity for water electrolysis, thereby escalating the cost of hydrogen production. In this regard, amorphous HER/OER bifunctional electrocatalysts are desired. In this review, we summarize the recent development on transition metal‐based amorphous catalysts for electrochemical water splitting. The design strategies for constructing HER/OER bifunctional transition‐metal‐based amorphous electrocatalysts are highlighted here, also including the exploration of relationship between catalyst structures and their remarkably improved performance. Finally, the possibilities of amorphous bifunctional catalysts for practical industrial applications are evaluated and future research direction are suggested.
Visible‐Light‐Driven Heterocyclic Fluoroalkylation Via Electron Donor−Acceptor Complexes
Authors: Li Yufei , Xie Kaili , Yang Shimin , Dai Peng , Guo Jianbo , Gu Yucheng , Xia Qing , Zhang Weihua 
Published: June 2024

AbstractHeterocyclic fluoroalkylation is initiated through a photochemical reaction involving an electron donor–acceptor complex. The reaction proceeds smoothly without requiring a photocatalyst, transition metal catalyst or additional oxidant. Through extensive experiments, we optimised the heterocyclic fluoroalkylation method and confirmed its versatility and effectiveness on various substrates. The process synthesises fluoroalkylated quinoxalinones and indolones with high efficiency and was successfully extended to gram‐scale applications, highlighting its practical utility. Detailed mechanistic analyses, supported by density functional theory calculations elucidated the role of the electron donor–acceptor complexes and deciphered the distinct radical chain reaction mechanism inherent in the halogen‐atom transfer pathway. Given the importance of fluoroalkyl groups in pharmaceuticals, this simple and efficient method promises substantial applications in medicinal chemistry and materials science.
Influence of Ammonia and Different Promoters on the Iron‐Based Fischer‐Tropsch Synthesis
Authors: Einemann Madita , Neumann Fabian , Roessner Frank 
Published: June 2024

AbstractThe material properties of precipitated iron promoted with either K, Mn, Pt, Ru, Zn, respectively, and their catalytic performance in the Fischer‐Tropsch synthesis were evaluated. A special attention was paid to the influence of ammonia on the reaction. Different spectroscopic methods e. g. XPS and XANES revealed the structure of both iron and the corresponding promoter. Conclusions were also drawn for the activated (reduced) catalysts. Applying temperature programmed reduction and XRD, the presence of iron nitrides through ammonia treatment was discovered. In the presence of ammonia under the Fischer‐Tropsch reaction conditions the formation of amines was detected. The highest yield of amines was observed for the manganese promoted catalyst. The investigation of hydrogen activating and not activating promoters in combination with iron, made it possible to hypothesise about the mechanism of the incorporation of ammonia into hydrocarbons under Fischer‐Tropsch reaction conditions.
Thiolated Cyanines Appended to Partially Pegylated Gold Nanoparticles for Fluorescence Quenching of Two‐Channel Photothermal Inks
Authors: Pallavicini Piersandro , Colombi Chiara , Baccini Caterina , Gatti Beatrice , D'Alfonso Laura , Dacarro Giacomo , Cattani Silvia , Diaz Fernandez Yuri A. , Doveri Lavinia , Milanese Chiara , Secchi Andrea 
Published: June 2024

AbstractFollowing a new approach, we prepared a nanoink with two separate photothermally responsive absorption bands. One is the localized surface plasmon resonance (LSPR) absorption of gold nanoparticles (AuNP, d=17 nm), the second is the absorption band of two cyanine (Cy) dyes, Cy7‐C6 or Cy7‐C11, grafted to the AuNP surface through thiolated bridges of different lengths: the close proximity to the Au surface induces full quenching of the Cy fluorescence, resulting in thermal relaxation on irradiation. Attempts to full coat AuNP with the lipophilic Cy7‐C6 and Cy7‐C11 lead to precipitation from aqueous solutions. We thus prepared AuNP with partial pegylation (30, 50, or 70 %), using a long chain thiol‐terminated PEG bearing a ‐COOH function. Addition until saturation of either Cy7‐C6 or Cy7‐C11 to the partially pegylated AuNP gave the AuNP@Cy/PEGX% hybrids (X=30, 50, 70) that are stable in water and in the water/alcohol mixtures used to prepare the nanoinks. Further overcoating of AuNP@Cy7‐C6/PEG50 % with PAH (polyallylamine hydrochloride) avoids LSPR hybridization in the dry nanoink printouts, that present two separate bands. When irradiated with laser sources near their absorption maxima, the printouts of the AuNP@Cy7‐C6/PEG50 %@PAH nanoink respond on two channels, giving different temperature increases depending on the irradiation wavelengths. This enhances the potentiality of use of these nanoinks for photothermal anticounterfait printouts, making more difficult to reproduce the correct ΔT vs λirradiation output.