bluuebunny/crossref_metadata_2025_split huggingface dataset:
Magnetic Particle Imaging: From Tracer Design to Biomedical Applications in Vasculature Abnormality
Authors: Xie Xulin , Zhai Jiao , Zhou Xiaoyu , Guo Zhengjun , Lo Pui‐Chi , Zhu Guangyu , Chan Kannie W. Y. , Yang Mengsu 
Published: October 2023

AbstractMagnetic particle imaging (MPI) is an emerging non‐invasive tomographic technique based on the response of magnetic nanoparticles (MNPs) to oscillating drive fields at the center of a static magnetic gradient. In contrast to magnetic resonance imaging (MRI), which is driven by uniform magnetic fields and projects the anatomic information of the subjects, MPI directly tracks and quantifies MNPs in vivo without background signals. Moreover, it does not require radioactive tracers and has no limitations on imaging depth. This article first introduces the basic principles of MPI and important features of MNPs for imaging sensitivity, spatial resolution, and targeted biodistribution. The latest research aiming to optimize the performance of MPI tracers is reviewed based on their material composition, physical properties, and surface modifications. While the unique advantages of MPI have led to a series of promising biomedical applications, recent development of MPI in investigating vascular abnormalities in cardiovascular and cerebrovascular systems, and cancer are also discussed. Finally, recent progress and challenges in the clinical translation of MPI are discussed to provide possible directions for future research and development.
Liquid Crystal Elastomer Artificial Tendrils with Asymmetric Core–Sheath Structure Showing Evolutionary Biomimetic Locomotion
Authors: Zhang Chun , Fei Guoxia , Lu Xili , Xia Hesheng , Zhao Yue 
Published: October 2023

AbstractThe sophisticated and complex haptonastic movements in response to environmental‐stimuli of living organisms have always fascinated scientists. However, how to fundamentally mimic the sophisticated hierarchical architectures of living organisms to provide the artificial counterparts with similar or even beyond‐natural functions based on the underlying mechanism remains a major scientific challenge. Here, liquid crystal elastomer (LCE) artificial tendrils showing evolutionary biomimetic locomotion are developed following the structure–function principle that is used in nature to grow climbing plants. These elaborately designed tendril‐like LCE actuators possess an asymmetric core–sheath architecture which shows a higher‐to‐lower transition in the degree of LC orientation from the sheath‐to‐core layer across the semi‐ellipse cross‐section. Upon heating and cooling, the LCE artificial tendril can undergo reversible tendril‐like shape‐morphing behaviors, such as helical coiling/winding, and perversion. The fundamental mechanism of the helical shape‐morphing of the artificial tendril is revealed by using theoretical models and finite element simulations. Besides, the incorporation of metal‐ligand coordination into the LCE network provides the artificial tendril with reconfigurable shape‐morphing performances such as helical transitions and rotational deformations. Finally, the abilities of helical and rotational deformations are integrated into a new reprogrammed flagellum‐like architecture to perform evolutionary locomotion mimicking the haptonastic movements of the natural flagellum.
Engineered mRNA Delivery Systems for Biomedical Applications
Authors: Wang Ji , Zhu Haofang , Gan Jingjing , Liang Gaofeng , Li Ling , Zhao Yuanjin 
Published: October 2023

AbstractMessenger RNA (mRNA)‐based therapeutic strategies have shown remarkable promise in preventing and treating a staggering range of diseases. Optimizing the structure and delivery system of engineered mRNA has greatly improved its stability, immunogenicity, and protein expression levels, which has led to a wider range of uses for mRNA therapeutics. Herein, a thorough analysis of the optimization strategies used in the structure of mRNA is first provided and delivery systems are described in great detail. Furthermore, the latest advancements in biomedical engineering for mRNA technology, including its applications in combatting infectious diseases, treating cancer, providing protein replacement therapy, conducting gene editing, and more, are summarized. Lastly, a perspective on forthcoming challenges and prospects concerning the advancement of mRNA therapeutics is offered. Despite these challenges, mRNA‐based therapeutics remain promising, with the potential to revolutionize disease treatment and contribute to significant advancements in the biomedical field.
The fate of nitrogen of ammonium phosphate fertilizers: A blind spot
Authors: Margenot Andrew J. , Lee Jeonggu 
Published: October 2023

AbstractAmmonium phosphate fertilizers are a common phosphorus (P) source for crops, namely monoammonium phosphate, diammonium phosphate, and ammonium polyphosphate. Despite containing appreciable nitrogen (N), ammonium phosphate fertilizers are generally considered P fertilizers. However, the approximately 8.5 million Mg N co‐applied with P annually as ammonium phosphate fertilizers represents 8% of global N fertilizer input flux to agroecosystems. Despite this, a systematic review of the literature revealed only one direct assessment of N losses from ammonium phosphate fertilizers. An additional five studies reported NO3‐N leaching and N2O‐N emissions from soils fertilized with ammonium phosphates, but inadvertently as observations from failed or control treatments that are confounded (e.g., not accounting for non‐fertilizer contributions to N losses). The magnitude and fate of N co‐applied with P in ammonium phosphate fertilizers is a blind spot in agroecosystem N budgets and environmental footprints that necessitates quantification.
Hydrocyanic acid potential in sorghums reduce with maturity and increase with temperature
Authors: Ouma Lilian , Cheruiyot Erick , Ogendo Joshua 
Published: October 2023

AbstractSorghum [Sorghum bicolor (L.) Moench] is an important fodder; however, its use is limited by the presence of dhurrin that breaks down to yield hydrocyanic acid (HCN), which is toxic to livestock. Twenty sorghum cultivars were evaluated in two sites in the year 2019 and three sites in the year 2020 (Egerton, Rongai, and Marigat representing cool, warm, and hot regions in Kenya) in randomized complete block design with three replications and plants sampled at booting and dough growth stages to measure hydrocyanic acid potential (HCN‐p) of sorghum. Analysis of variance revealed significant effects of both two‐way and higher‐order interactions of cultivar (G), location (L), and stage (S) by season (Y), that is, G × L × S, G × L × Y, G × Y, G × S, L × S, and L × Y. Main factors (cultivar, location, and stage) also have a significant effect on HCN‐p of sorghum. IESV9110 had the highest HCN‐p (146.09 mg kg), while EST 37 had the lowest HCN‐p (83.97 mg kg−1) across all locations. There was a progressive increase in HCN‐p from a cooler region to a warmer and a hotter region, respectively. HCN‐p on average was 47.8% less at Egerton University than at Marigat, 35.4% higher in Marigat compared to Rongai, and 14.41% less in Rongai compared to Egerton. Sorghum sampled at booting stage had averagely higher HCN‐p (133.94 mg kg−1) compared to dough stage (91.31 mg kg−1). The average air temperatures during the growing seasons were 24–27.3°C, 21.8–22.9°C, and 16.5–19.5°C for Marigat, Rongai, and Egerton, respectively. Growing temperature needs consideration when recommending fodder sorghum with low HCN‐p.
Fabricating Effective and Recyclable Cadmium‐based Coordination Polymer for Selective Synthesis of 1,5‐Benzodiazepines
Authors: Chen Li , Li Jiahao , Wang Likui , Shi Gang , Wang Dawei 
Published: October 2023

AbstractMetal coordination polymers are widely applied in the synthesis of heterocyclic compounds due to the advantages of highly dispersed metal active sites, low cost and strong designability. Herein, employing the 9‐benzyl‐3,6‐di(1H‐pyrazol‐1‐yl)‐9H‐carbazole (BPC) as a ligand, the cadmium‐coordinated polymer compound (Cd‐BPC) was facilely prepared by solvothermal method and characterized by energy dispersive spectrometer (EDS), flourier‐transform infrared spectroscopy (FT‐IR), scanning electron microscope (SEM), transmission electron microscopy (TEM) and X‐ray photoelectron spectrometry (XPS). Employing the Cd‐BPC polymer as a catalyst, 1,5‐benzodiazepine derivatives were produced with relatively high yields through the reaction of o‐phenylenediamine with ketones, and o‐phenylenediamine with alcohols. Additionally, Cd‐BPC could be reused for at least 5 times without significant decrease.
Chiral‐Quantum‐Optics‐Based Supervised Learning
Authors: Yan Wei‐Bin , Zhang Ying‐Jie , Man Zhong‐Xiao , Fan Heng , Xia Yun‐Jie 
Published: October 2023

AbstractBased on the excellent control of single photons realized by atom‐photon‐chiral couplings,a novel quantum‐optics scheme for supervised learning is proposed. The single‐photon rotating and phase‐shift operations, which can be controlled by another single photon, are realized by proper atom‐photon‐chiral couplings. Then, an algorithm to perform the supervised learning tasks, composed by integrating the realized gates, and implemented by the tunable gate parameters, is realized.
Eliminating the thermal degradation of polylactic acid by the modification of a macromolecular epoxy‐type chain extender
Authors: Duan Hao , Zhu Congshan , Fan Zhongyong 
Published: October 2023

AbstractA novel macromolecular epoxy chain extender was synthesized and used to modify the PLA resin for developing conventional melt extrusion technology. Fourier‐transform infrared spectroscopy (FTIR), gel permeation chromatography (GPC), and 1H nuclear magnetic resonance (1H NMR) characterized the successful synthesis. For the first time, the molecular weight plays a key role in preventing thermal degradation and chain extension were discussed experimentally. Macromolecular chain extender showed superior advantages in that the chain extender with higher molecular weight was easier to get the long chain branched (LCB) structure in the modification of PLA. The characterization by rotational rheometer, GPC, melt index, chemical titration, and differential scanning calorimeter (DSC), results demonstrate that the macromolecular epoxy chain extender could decrease the concentration of terminal carboxyl groups and increase with only 0.5% dosage. At a concentration ≥2%, there were a large number of long chain branched structures in the chain extension system for modified PLA. It showed better melt strength and would influence the crystallinity of PLA which would significantly improve the processability of PLA, especially in high‐temperature extrusion, blow molding, spinning, and other processing technologies and applications.
Benzothiazole‐Propanamide Linker Pyrrolidine (Morpholine) as Monoamine Oxidase‐B and Butyrylcholinesterase Inhibitors
Authors: He Zhi‐Wen , Jiang B. S. Kai‐Yin , Sun Xin‐Hao , Tang Min , Liu Ya‐Wen , Guan Li‐Ping , Wu Di 
Published: October 2023

AbstractAccording to the fusion technique create effective multi‐target‐directed ligands, in this study, we designed and synthesized a series of benzo[d]thiazol‐2‐yl)‐3‐(pyrrolidin‐1‐yl) or 3‐(morph‐ olino‐1‐yl)propanamide derivatives, and evaluated their inhibitory potency against MAOs, AChE, BuChE by in vitro enzyme effect assays. Based on activity results, we found that derivatives N‐(5‐methylbenzo[d]thiazol‐2‐yl)‐3‐(pyrrolidin‐1‐yl)propanamide (2 c) and N‐(6‐bromobenzo[d]thiazol‐2‐yl)‐3‐(pyrrolidin‐1‐yl)propanamide (2 h) showed good inhibitory potency against BuChE with IC50 values of 15.12 μM and 12.33 μM, respectively. Besides, 2 c and 2 h also exhibited selective MAO‐B inhibitory effects with inhibition rates of 60.10 % and 66.30 % at 100 μM, respectively. In contrast, all designed derivatives were poor active against AChE and MAO‐A at a concentration of 100 μM. The toxicity analysis in vitro by MTT and AO/EB fluorescence staining confirmed that 2 c and 2 h were nontoxic up to 100 μM. Molecular modeling studies showed that 2 c and 2 h could bind to the active site of BuChE. This research paves the way for further study aimed at designing MAO‐B and BuChE inhibitors for the treatment of neurodegenerative disorders.
Acetal Radicals: Synthetic Access and Applications
Authors: Samony Kyra L. , Kim Daniel K. 
Published: October 2023

AbstractAldehydes and ketones are two of the most versatile functional groups in organic synthesis, and the development of new reagents and protocols to install them are always warranted. Recently, the reemergence of radical chemistry has provided new opportunities to introduce these important carbonyl motifs. As such, acetal radicals can be employed as synthetic radical equivalents for acyl radicals that can also circumvent known stability challenges. This review aims to summarize the advancements and known uses of acetal radicals, as well as explore acetal radical formation and synthetic applications.
Revealing the Unique Role of Water in the Formation of Benzothiazoles: an Experimental and Computational Study
Authors: Kumar Dipanshu , Kuijken Peter F. , van de Poel Tjerk , Neumann Kevin , Galimberti Daria Ruth 
Published: October 2023

AbstractWe present here a joint experimental and computational study on the formation of benzothiazoles. Our investigation reveals a green protocol for accessing benzothiazoles from acyl chlorides using either water alongside a reducing agent as the reaction medium or in combination with stoichiometric amounts of a weak acid, instead of the harsh conditions and catalysts previously reported. Specifically, we show that a protic solvent, particularly water, enables the formation of 2‐substituted benzothiazoles from N‐acyl 1,2‐aminothiophenols already at room temperature, without the need for strong acids or metal catalysts. DFT Molecular Dynamics simulations coupled with advanced enhanced sampling techniques provide a clear understanding of the catalytic role of water. We demonstrate how bulk water – due to its extended network of hydrogen bonds and an efficient Grotthuss mechanism – provides a reaction path that strongly reduces the reaction barriers compared to aprotic environments, namely more than 80 kJ/mol for the first reaction step and 250 kJ/mol for the second. Finally, we discuss the influence of different aliphatic and aromatic substituents with varying electronic properties on chemical reactivity. Besides providing in‐depth mechanistic insights, we believe that our findings pave the way for a greener route toward an important class of bioactive molecules.
Proton‐Coupled Electron Transfer in Electrocatalytic Water Splitting
Authors: Yang Shujiao , Han Jinxiu , Zhang Wei 
Published: October 2023

AbstractProton‐coupled electron transfer (PCET) plays a crucial role in a diverse array of natural and artificial energy conversion processes. Herein, we will introduce the fundamentals of electrochemical PCET with a focus on its role in water splitting. Besides, perspectives of future development of PCET are presented with regard to the investigation of reaction mechanisms and the design of advanced electrocatalysts.
Bioinspired Functionalization of Carbonyl Compounds Enabled by Metal Chelated Bifunctional Ligands
Authors: Gupta Aniket , Rahaman Ajijur , Bhadra Sukalyan 
Published: October 2023

AbstractIn Nature, enzymatic reactions proceed through exceptionally ordered transition states giving rise to extraordinary levels of stereoselection. In those reactions, the active site of the enzyme plays crucial roles – through one position, it holds the substrate in the proximity to the reaction epicentre that facilitates both the reactivity and stereoselectivity of the chemical process. Inspired by this natural phenomenon, synthetic chemists have designed bifunctional ligands that not only coordinate to a metal centre but also preassociate with an organic substrate, for example aldehyde and ketone, and exerts stereodirecting influence to accelerate the attack of the incoming reacting partner from a particular enantiotopic face. The chief goal of the current review is to give an overview of the recently developed approaches enabled by privileged bio‐inspired bifunctional ligands that not only bind to the metal catalyst but also activates carbonyl substrates via organocatalysis, thereby easing in the new bond forming step. As carbonyl α‐functionalizations are dominated by enamine and enolate chemistry, the current review primarily focusses on enamine‐ and enolate‐metal catalysis by bifunctional ligands. Thus, developments based on traditional cooperative catalysis occurring through two directly coupled but independent catalytic cycles of an organocatalyst and a metal catalyst are not covered.
Validation of targeted next‐generation sequencing of cell‐free DNA from archival cerebrospinal fluid specimens for the detection of somatic variants in cancer involving the leptomeninges: Cytopathologic and radiographic correlation
Authors: Neil Alexander J. , Chukwueke Ugonma N. , Hoover Nicholas , Marris Sean R. N. , Rojas‐Rudilla Vanesa , Manning Danielle K. , Mito Jeffrey K. , Cibas Edmund S. , Sholl Lynette M. 
Published: October 2023

AbstractBackgroundLeptomeningeal metastases occur across multiple solid and lymphoid cancers, and patients typically undergo cytopathologic assessment of cerebrospinal fluid (CSF) in this setting. For patients diagnosed with metastatic cancer, the detection of actionable somatic mutations in CSF can provide clinically valuable information for treatment without the need for additional tissue collection.MethodsThe authors validated a targeted next‐generation sequencing assay for the detection of somatic variants in cancer (OncoPanel) on cell‐free DNA (cfDNA) isolated from archival CSF specimens in a cohort of 25 patients who had undergone molecular testing of a prior tumor specimen.ResultsCSF storage time and volume had no impact on cfDNA concentration or mean target coverage of the assay. Previously identified somatic variants in CSF cfDNA were detected in 88%, 50%, and 27% of specimens diagnosed cytologically as positive, suspicious/atypical, and negative for malignancy, respectively. Somatic variants were identified in 81% of CSF specimens from patients who had leptomeningeal enhancement on magnetic resonance imaging compared with 31% from patients without such enhancement.ConclusionsThese data highlight the stability of cfDNA in CSF, which allows for cytopathologic evaluation before triage for next‐generation sequencing assays. For a subset of cases in which clinical suspicion is high but cytologic or radiographic studies are inconclusive, the detection of pathogenic somatic variants in CSF cfDNA may aid in the diagnosis of leptomeningeal metastases.
Renal vein thrombosis due to metastatic germ cell tumor, report of a case with a very rare clinical scenario
Authors: Ghorbani Hamidreza , Emadi Torghabeh Ali , Farzadnia Mahdi , Golshan Alireza , Rabiei Parisa 
Published: October 2023

AbstractBackgroundRenal metastasis is a rare manifestation of germ cell tumors. Extension of malignant lesions into the renal vein can complicate the scenario.CaseThis report presents a 35‐year‐old man with primary stage IS NSGCT. Fourteen months after radical orchiectomy he presented with metastasis in the lung, kidney, and para‐aortic lymph nodes. He received multiple lines of salvage treatments including chemotherapy and surgery. Intraoperative exploration during radical nephrectomy and retroperitoneal lymphadenectomy revealed intra‐renal vein involvement with a prominent teratomatous component.ConclusionDefining the exact extent of malignant lesions, especially endovascular lesions, is very important to clarify how advanced the malignant lesions are. The surgeons must be aware of the risk factors that predict vascular involvement, and therefore, providing intraoperative access to vascular surgery procedures when needed.
Photophysical Tuning of Imidazolium Tetrahalidomanganate(II) Complexes towards Highly Efficient Green Emitters with Near‐Unity Quantum Yield
Authors: Sääsk Verner , Chen Yi‐An , Huang Tse‐Fu , Ting Li‐Yu , Luo Ting‐An , Fujii Saki , Põhako‐Esko Kaija , Yoshida Masaki , Kato Masako , Wu Tien‐Lin , Chou Ho‐Hsiu 
Published: October 2023

AbstractTen ionic manganese(II) complexes of [EMIm]2[MnX2Y2] (EMIm=1‐ethyl‐3‐methylimidazolium ion; X, Y=Cl, Br or I) and [BnMIm]2[MnX2Y2] (BnMIm=1‐benzyl‐3‐methylimidazolium ion; X, Y=Cl, Br or I) types were synthesized and studied in terms of their thermal and photophysical properties. Complexes with [BnMIm]+ cation were found to exhibit higher crystallinity, owing to the aromatic π‐stacking, and superior photoluminescent quantum yields, promoted by the increased Mn⋅⋅⋅Mn distance. For complexes with chlorine and bromine ligands efficient tunability of photophysical parameters was demonstrated. Out of all complexes, [BnMIm]2[MnBr4] was found to have the highest photoluminescence quantum yield at room temperature (Φ=0.59). To highlight the importance of a large Mn⋅⋅⋅Mn distance for achieving high Φ values, a mixed‐anion analog of complex [BnMIm]2[MnBr4] was prepared, with the suggested formula of [BnMIm]4[MnBr4]Br2. The latter have shown a significant improvement in d–d absorption efficiency and a reduction in nonradiative deactivation, which led to an outstanding Φ value of 0.97. Finally, the optical band gap of [BnMIm]4[MnBr4]Br2 was estimated to describe its applicability as light‐emitting material.
Coupling finite elements of class C1 on composite curved meshes for second order elliptic problems
Authors: Bhole Ashish , Guillard Hervé , Nkonga Boniface , Rapetti Francesca 
Published: October 2023

SummaryFinite elements of class are suitable for the computation of magnetohydrodynamics instabilities in tokamak plasmas. In addition, isoparametric approximations allow for a precise alignment of the mesh with the magnetic field line. Mesh alignment is crucial to achieve axisymmetric equilibria accurately. It is also helpful to deal with the anisotropy nature of magnetized plasma flows. In this numerical framework, several practical simulations are now available. They help to understand better the operation of existing devices and predict the optimal strategies for using the international ITER tokamak under construction. However, a mesh‐aligned isoparametric representation suffers from the presence of critical points of the magnetic field (magnetic axis, X‐point). We here explore a strategy that combines aligned mesh out of the critical points with non‐aligned unstructured mesh in a region containing these points. By this strategy, we can avoid highly stretched elements and the numerical difficulties that come with them. The mesh‐aligned interpolation uses bi‐cubic Hemite‐Bézier polynomials on a structured mesh of curved quadrangular elements. On the other hand, we assume reduced cubic Hsieh‐Clough‐Tocher finite elements on an unstructured triangular mesh. Both meshes overlap, and the resulting formulation is a coupled discrete problem solved iteratively by a suitable one‐level Schwarz algorithm. In this paper, we will focus on the Poisson problem on a two‐dimensional bounded regular domain. This elliptic equation is a simplified version of the axisymmetric tokamak equilibrium one at the asymptotic limit of infinite major radius (large aspect ratio).