bluuebunny/crossref_metadata_2025_split huggingface dataset:
Covalent Organic Framework: An Emerging Catalyst for Renewable Ammonia Production
Authors: Chowdhury Ipsita Hazra , Gupta Shivani , Rao Vishal Govind 
Published: May 2023

AbstractAmmonia (NH3), a fertilizer feedstock and clean energy carrier, is produced primarily by the Haber‐Bosch method, which is environmentally hazardous and energy intensive. Therefore, there is an immediate need for a benign alternative, like catalytic nitrogen fixation, such as catalytic nitrogen reduction reaction (NRR). NRR must involve active, selective, scalable, and long‐lived catalysts to become a sustainable source of ammonia production. Recently, covalent organic frameworks (COFs) and COF‐based functional materials have been proposed as promising catalysts for NRR. COFs comprise repeating units of organic molecules connected by strong covalent bonds. By fine‐tuning the building blocks, various COFs can be designed with numerous active sites. This class of materials offers excellent modularity, porosity, stability, and low density. A novel type of nitrogen‐abundant COFs called covalent triazine framework (CTF) has been noted for its high electron density and ultra‐stability. This review examines the state‐of‐the‐art for the NRR using different COF‐based catalysts and discusses design principles for advancing it. The underlying mechanism of NRR with different strategies adopted for renewable ammonia production is also discussed for a clear understanding of the process. Furthermore, key parameters for improving ammonia synthesis‘s photo/electrocatalytic efficiency will also be highlighted to present new possibilities to this emerging field.
A Feasible Strategy for a Highly Efficient Thermally Activated Delayed Fluorescence Emitter Over 900 nm Based on Phenalenone Derivatives
Authors: Ma Bin , Ding Zhenming , Liu Denghui , Zhou Zhongxin , Zhang Kai , Dang Dongfeng , Zhang Shiyue , Su Shi‐Jian , Zhu Weiguo , Liu Yu 
Published: May 2023

AbstractNear‐infrared (NIR) organic light‐emitting diodes (OLEDs) suffer from the low external electroluminescence (EL) quantum efficiency (EQE), which is a critical obstacle for potential applications. Herein, 1‐oxo‐1‐phenalene‐2,3‐dicarbonitrile (OPDC) is employed as an electron‐withdrawing aromatic ring, and by incorporating with triphenylamine (TPA) and biphenylphenylamine (BBPA) donors, two novel NIR emitters with thermally activated delayed fluorescence (TADF) characteristics, namely OPDC‐DTPA and OPDC‐DBBPA, are first developed and compared in parallel. Intense NIR emission peaks at 962 and 1003 nm are observed in their pure films, respectively. Contributed by the local excited (LE) characteristics in the triplet (T1) state in synergy with the charge transfer (CT) characteristics for the singlet (S1) state to activate TADF emission, the solution processable doped NIR OLEDs based on OPDC‐DTPA and OPDC‐DBBPA yield EL peaks at 834 and 906 nm, accompanied with maximum EQEs of 0.457 and 0.103 %, respectively, representing the state‐of‐the‐art EL performances in the TADF emitter‐based NIR‐OLEDs in the similar EL emission regions so far. This work manifests a simple and effective strategy for the development of NIR TADF emitters with long wavelength and efficiency synchronously.
Direct C(3)5−H Polyfluoroarylation of 2‐Amino/alkoxy Pyridines Enabled by a Transient and Electron‐deficient Palladium Intermediate
Authors: Das Animesh , Maji Biplab 
Published: May 2023

AbstractHerein, we present an unprecedented azine‐limited C5−H polyfluoroarylation of 2‐aminopyridines enabled by a transient and electron‐deficient perfluoroaryl‐Pd species via C−H/C−H coupling. The protocol further allows C3(5)−H polyfluoroarylation of 2‐alkoxypyridines guided by sterics and electronics for the first time. The late‐stage C−H functionalization of drugs, drug derivatives, and natural product derivatives and synthesis of C5‐aryl drug derivatives further demonstrated the method's utility. The preliminary mechanistic studies reveal that the synergistic combination of the bulky yet electrophilic perfluoroaryl‐Pd species and the partial nucleophilicity of the C5‐position of 2‐amino/alkoxy‐pyridines is the origin of reactivity and selectivity. Importantly, the first experimental evidence for the role of diisopropyl sulfide is provided.
A many‐objective optimization based intelligent algorithm for virtual machine migration in mobile edge computing
Authors: Fan Tian , Guo Wanwan , Zhang Zhixia , Cui Zhihua 
Published: May 2023

SummaryWith the rapid development of big data, the explosive growth of data promotes the progress of the Internet of Things (IoT). Because it is hard for traditional cloud computing to meet vast computing tasks, scholars propose mobile edge computing (MEC) for the IoT. However, the mobility of users results in the instability of MEC performance. Besides, the conflict of interest between users and service providers needs to be balanced. To solve these problems, this paper constructs a virtual machine migration model based on many‐objective optimization (MaOVMMM). In MaOVMMM, four objectives are considered simultaneously: communication expense, computing expense, delay, and energy consumption. A many‐objective evolutionary algorithm with double population confrontation (MaOEA‐DPC) is suggested to support the MaOVMMM that is proposed. First, the population confrontation strategy is designed to better simulate the relationship between users and service providers. Second, the dynamic probability integration selection strategy is used to ensure the evolution ability of the algorithm. Simulation results demonstrate the effectiveness and superiority of MaOEA‐DPC when compared with other algorithms. This proposed approach can provide a superior virtual machine migration scheme for decision‐makers.
Modular Synthesis of Phosphino Hydrazones and Their Use as Ligands in a Palladium‐Catalysed Cu‐Free Sonogashira Cross‐Coupling Reaction
Authors: Baweja Saral , Kazimir Aleksandr , Lönnecke Peter , Hey‐Hawkins Evamarie 
Published: May 2023

AbstractPhosphino hydrazones represent a versatile class of nitrogen‐containing phosphine ligands. Herein, we report a modular synthesis of phosphino hydrazone ligands by hydrazone condensation reaction of three different aryl hydrazines with 3‐(diphenylphosphino)propanal (PCHO). Complexation reactions of these phosphino hydrazone ligands with palladium(II) and platinum(II) were investigated and the catalytic activity of the palladium(II) complexes was explored in a Cu‐free Sonogashira cross‐coupling reaction achieving yields up to 96 %. Additionally it was shown that the catalytically active species is homogeneous.
Dual Chromophoric Meso‐Aryl BODIPYs with Aggregation Induced Red‐Emission Characteristics: Optical Properties and their Application in Fe3+ Detection
Authors: Mathew Diana , Parameswaran Pattiyil 
Published: May 2023

AbstractHerein, we report the design of meso‐aryl BODIPYs as a structural motif for aggregation‐caused quenching (ACQ) to aggregation‐induced emission (AIE) transformation. A series of meso‐aryl BODIPY derivatives were synthesized, by systematically increasing the size of the chromophore at the meso‐position from phenyl to pyrene. The effect of various factors, such as the aryl ring size, solvents, viscosity, and metal cations, on the photophysical properties was analyzed. The emission properties are well correlated with the flexibility of the aromatic ring for free rotation around the Caryl−CBODIPY bond. Accordingly, meso‐phenanthrene BODIPY (PhB) has the highest emission characteristics. The emission property of less bulky aryl‐substituted BODIPYs increases by increasing the solvent viscosity. The interaction of Fe3+ ions with aryl‐BODIPYs provides a prominent photophysical response based on Lewis‐acid supported decomplexation of BF2 in aryl‐BODIPYs. The bichromophoric meso‐aryl BODIPYs exhibit notable intramolecular excitation energy transfer from the aromatic ring to the BODIPY core, which is higher in meso‐anthracene BODIPY(AB). Hence, decorating BODIPYs with polycyclic aromatic systems generates a twisted structure, which inhibits the π‐π stacking between the planar aromatic molecules. This can be proposed as an effective approach at the molecular level to convert planar aryl luminophores having ACQ to AIEgens. Besides, the meso‐pyrene BODIPY derivative shows excellent mechanofluorochromic behaviour.
Stereoselective Mannich Reactions in the Synthesis of Enantiopure Piperidine Alkaloids and Derivatives
Authors: van Rootselaar Stefan , Peterse Evert , Blanco‐Ania Daniel , Rutjes Floris P. J. T. 
Published: May 2023

AbstractPiperidine alkaloids are members of the alkaloid family that is characterized by the presence of a six‐membered nitrogen‐containing heterocycle. Piperidine alkaloids are found mainly in plants and often exhibit interesting biological and pharmacological activities. Despite the accumulation of these natural products in plants, relatively low quantities of alkaloids are produced in absolute terms and thus synthesis of alkaloids and derivatives thereof remains relevant to identify targets for drug discovery. Throughout the years, researchers have come up with a myriad of methods to synthesize piperidine derivatives. This review describes methods that employ stereoselective Mannich reactions to create the core of piperidine alkaloids. Asymmetric induction in the Mannich reaction has been achieved by a range of methods that have been divided into three conceptual approaches: (1) chiral pool‐based (internal asymmetric induction), (2) chiral auxiliary‐based (relayed asymmetric induction) and (3) asymmetric catalysis‐based (external asymmetric induction). Of each approach, we describe the reaction mechanism and rationalize the stereochemical outcome of the Mannich products.
Effectiveness of ultrasound screening in right upper quadrant pain: A comparative study in a basic emergency service
Authors: Miravent Sérgio , Lobo Manuel , Figueiredo Teresa , Jiménez Carmen , Almeida Rui 
Published: May 2023

AbstractBackground and AimsThe use of ultrasound screening is primarily facilitated by point‐of‐care ultrasound (POCUS) and its integration into healthcare systems is a result of the versatility of this imaging technique. This study intends to compare the accuracy and pertinence of sonographic findings obtained by a sonographer in a Basic Emergency Service (BES) with that of radiologists at referral hospital (RH) in Portugal.MethodsTwenty patients with right upper quadrant (RUQ) pain and suspected cholecystitis or biliary pathology underwent sonography screening using POCUS in the BES. They were then forwarded to the RH where a radiologist performed a conventional ultrasound exam on the same patients. The results of both exams were compared to determine if the findings obtained in the BES were confirmed by the radiologist in the RH.ResultsIn our sample, 60% of cases were related to biliary pathology, 20% were liver‐related, 10% had hepatopancreatic biliary etiology, and 10% had unknown etiology. A strong association between the sonographic findings in the BES and the RH was found in the variables “Sonographic Murphy sign” (V = 0.859; p = 0.001), “Cholelithiasis/Gallbladder sludge” (V = 0.840; p = 0.001), and “Intrahepatic biliary tract dilatation” (V = 0.717; p = 0.006). Adequate measures of agreement between the findings of the radiographer and radiologist were obtained for the “Sonographic Murphy sign” (k = 0.664; p = 0.001) and the presence of “Cholelithiasis/Gallbladder sludge” (k = 0.712; p = 0.000).ConclusionMajor biliary abnormalities were detected in patients with RUQ pain in BES using sonography. The correlation between the sonographic findings obtained by the sonographers at BES and those obtained by radiologists at the RH in Portugal was strong, showing that POCUS screening could be extended to other similar settings; however, more studies are needed.
Ultrafast one‐pass FASTQ data preprocessing, quality control, and deduplication using fastp
Authors: Chen Shifu 
Published: May 2023

AbstractA large amount of sequencing data is generated and processed every day with the continuous evolution of sequencing technology and the expansion of sequencing applications. One consequence of such sequencing data explosion is the increasing cost and complexity of data processing. The preprocessing of FASTQ data, which means removing adapter contamination, filtering low‐quality reads, and correcting wrongly represented bases, is an indispensable but resource intensive part of sequencing data analysis. Therefore, although a lot of software applications have been developed to solve this problem, bioinformatics scientists and engineers are still pursuing faster, simpler, and more energy‐efficient software. Several years ago, the author developed fastp, which is an ultrafast all‐in‐one FASTQ data preprocessor with many modern features. This software has been approved by many bioinformatics users and has been continuously maintained and updated. Since the first publication on fastp, it has been greatly improved, making it even faster and more powerful. For instance, the duplication evaluation module has been improved, and a new deduplication module has been added. This study aimed to introduce the new features of fastp and demonstrate how it was designed and implemented.
Layered oxide cathodes for sodium‐ion batteries: From air stability, interface chemistry to phase transition
Authors: Liu Yi‐Feng , Han Kai , Peng Dan‐Ni , Kong Ling‐Yi , Su Yu , Li Hong‐Wei , Hu Hai‐Yan , Li Jia‐Yang , Wang Hong‐Rui , Fu Zhi‐Qiang , Ma Qiang , Zhu Yan‐Fang , Tang Rui‐Ren , Chou Shu‐Lei , Xiao Yao , Wu Xiong‐Wei 
Published: May 2023

AbstractSodium‐ion batteries (SIBs) are considered as a low‐cost complementary or alternative system to prestigious lithium‐ion batteries (LIBs) because of their similar working principle to LIBs, cost‐effectiveness, and sustainable availability of sodium resources, especially in large‐scale energy storage systems (EESs). Among various cathode candidates for SIBs, Na‐based layered transition metal oxides have received extensive attention for their relatively large specific capacity, high operating potential, facile synthesis, and environmental benignity. However, there are a series of fatal issues in terms of poor air stability, unstable cathode/electrolyte interphase, and irreversible phase transition that lead to unsatisfactory battery performance from the perspective of preparation to application, outside to inside of layered oxide cathodes, which severely limit their practical application. This work is meant to review these critical problems associated with layered oxide cathodes to understand their fundamental roots and degradation mechanisms, and to provide a comprehensive summary of mainstream modification strategies including chemical substitution, surface modification, structure modulation, and so forth, concentrating on how to improve air stability, reduce interfacial side reaction, and suppress phase transition for realizing high structural reversibility, fast Na+ kinetics, and superior comprehensive electrochemical performance. The advantages and disadvantages of different strategies are discussed, and insights into future challenges and opportunities for layered oxide cathodes are also presented.image
Whole‐Body Metabolism and the Musculoskeletal Impacts of Targeting Activin A and Myostatin in Severe Osteogenesis Imperfecta
Authors: Omosule Catherine L. , Joseph Dominique , Weiler Brooke , Gremminger Victoria L. , Silvey Spencer , Lafaver Brittany N. , Jeong Youngjae , Kleiner Sandra , Phillips Charlotte L. 
Published: May 2023

ABSTRACTMutations in the COL1A1 and COL1A2 genes, which encode type I collagen, are present in around 85%–90% of osteogenesis imperfecta (OI) patients. Because type I collagen is the principal protein composition of bones, any changes in its gene sequences or synthesis can severely affect bone structure. As a result, skeletal deformity and bone frailty are defining characteristics of OI. Homozygous oim/oim mice are utilized as models of severe progressive type III OI. Bone adapts to external forces by altering its mass and architecture. Previous attempts to leverage the relationship between muscle and bone involved using a soluble activin receptor type IIB‐mFc (sActRIIB‐mFc) fusion protein to lower circulating concentrations of activin A and myostatin. These two proteins are part of the TGF‐β superfamily that regulate muscle and bone function. While this approach resulted in increased muscle masses and enhanced bone properties, adverse effects emerged due to ligand promiscuity, limiting clinical efficacy and obscuring the precise contributions of myostatin and activin A. In this study, we investigated the musculoskeletal and whole‐body metabolism effect of treating 5‐week‐old wildtype (Wt) and oim/oim mice for 11 weeks with either control antibody (Ctrl‐Ab) or monoclonal anti‐activin A antibody (ActA‐Ab), anti‐myostatin antibody (Mstn‐Ab), or a combination of ActA‐Ab and Mstn‐Ab (Combo). We demonstrated that ActA‐Ab treatment minimally impacts muscle mass in oim/oim mice, whereas Mstn‐Ab and Combo treatments substantially increased muscle mass and overall lean mass regardless of genotype and sex. Further, while no improvements in cortical bone microarchitecture were observed with all treatments, minimal improvements in trabecular bone microarchitecture were observed with the Combo treatment in oim/oim mice. Our findings suggest that individual or combinatorial inhibition of myostatin and activin A alone is insufficient to robustly improve femoral biomechanical and microarchitectural properties in severely affected OI mice. © 2023 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
Low miR‐182‐5p Expressing Extracellular Vesicles Derived From Human Bone Marrow Stromal Cells of Subjects With Steroid‐Induced Osteonecrosis of the Femoral Head Aggravate Disease Progression
Authors: Li Shushan , Kong Zhiheng , Ma Baodong , Wang Haitao , Han Yu , Zhao Hongbo , Shi Xiangyu , Lv Pengju , Yue Han , Grässel Susanne , Yin Li 
Published: May 2023

ABSTRACTSteroid‐induced osteonecrosis of the femoral head (SONFH) is a refractory, progressive disease. However, the underlying mechanisms that aggravate femoral head necrosis remain unclear. Extracellular vesicles (EVs) act as molecular carriers in intercellular communication. We hypothesize that EVs derived from human (h) bone marrow stromal cells (BMSC) resident in SONFH lesion areas promote the pathogenesis of SONFH. In the present study, we determined the modulatory effects of SONFH‐hBMSCs‐derived EVs on the pathogenesis of SONFH in vitro and in vivo. We found that the expression of hsa‐miR‐182‐5p was downregulated in SONFH‐hBMSCs and EVs isolated from those hBMSCs. After tail vein injection, EVs isolated from hBMSCs transfected with hsa‐miR‐182‐5p inhibitor aggravated femoral head necrosis in the SONFH mouse model. We conclude that miR‐182‐5p regulates bone turnover in the SONFH mouse model via targeting MYD88 and subsequent upregulation of RUNX2 expression. We further assume that EVs derived from hBMSCs resident in SONFH lesion areas aggravate femoral head necrosis by downregulating miR‐182‐5p secreted from hBMSC located outside these lesions. We suggest that miR‐182‐5p could provide a novel target for future therapeutic approaches to treat or prevent SONFH. © 2023 American Society for Bone and Mineral Research (ASBMR).
Study on antitumor activity of parthenolide C‐14 derivatives
Authors: Zhou Yanhong , He Shuzhong , Zhong Hang , He Zhangjiang , Kang Jichuan 
Published: May 2023

AbstractIn this study, two series of C‐14 derivatives of parthenolide were designed, and synthesized 13 ester derivatives were obtained by oxidation and further esterification of their C‐14 methyl groups. Similarly, the C‐14‐oxidative product suffered from iodination and reacted with amino compounds to afford 3 amine derivatives. Antiproliferative test in vitro exhibited that most of the newly synthesized compounds were more potent than parthenolide toward both human non‐small cell lung cancer A549 cell line and breast cancer MDA‐MB‐231 cell line. Among them, ZA‐5 displayed a significant antiproliferative effect against A549 with an IC50 value of 1.03 μmol L−1 and ZB‐1 had a potency almost equal to that of the positive drug Adriamycin toward MDA‐MB‐231 cells. Finally, a mechanism study showed that ZA‐5 could significantly trigger off apoptosis of A549 cells at the test concentration.
Preliminary Study of Confounder‐Corrected Fat Fraction and R2* Mapping of Bone Marrow in Children With Acute Leukemia
Authors: Wang Linlin , Wang Dao , Chen Jiao , Sun Mengtian , Nickel Dominik , Kannengiesser Stephan , Qu Feifei , Zhu Jingxia , Ren Cuiping , Zhang Yong , Cheng Jingliang 
Published: May 2023

BackgroundThe bone marrow (BM) evaluation of acute leukemia (AL) mainly depends on invasive BM puncture biopsy. Noninvasive and accurate MR examination technology has potential clinical application value in the BM evaluation of AL patients. Multi‐gradient‐echo (MGRE) has been found useful to evaluate changes in BM fat and iron content, but has not yet been applied in AL.PurposeTo explore the diagnostic capability of BM infiltration of quantitative BM fat fraction (FF) and R2* values obtained from a 3D MGRE sequence in children with primary AL.Study TypeProspective.Population/SubjectsSixty‐two pediatric patients with untreated AL and 68 healthy volunteers. AL patients were divided into acute lymphoblastic leukemia (ALL) (n = 39) and acute myeloid leukemia (AML) (n = 23) groups.Field Strength/Sequence3T, 3D chemical‐shift‐encoded multi‐gradient‐echo, T1WI, T2WI, T2_STIR.AssessmentBM FF and R2* values were assessed by manually drawing regions of interest at the L3, L4, ilium, and 1 cm below the bilateral trochanter of the femur (upper femur).Statistical TestsIndependent sample t‐tests, variance analysis, Spearman correlation.ResultsBM FF and R2* at L3, L4, ilium, and upper femur, FFtotal and R2*total were significantly lower in the AL than control group. BM FF did not significantly differ between ALL and AML groups (PL3 = 0.060, PL4 = 0.086, Pilium = 0.179, Pupper femur = 0.149, and Ptotle = 0.097, respectively). The R2* was significantly lower in ALL group than AML group for L3, L4, and R2*total. BM FF was moderately positively correlated with R2* in ALL group, and strongly positively correlated in AML group. Area under the receiver operating characteristic curves showed that BM FF had higher AUC in AL, ALL, and AML (all AUC = 1.000) than R2* (0.976, 0.996, and 0.941, respectively).Data ConclusionMGRE‐MRI mapping can be applied to measure BM FF and R2* values, and help evaluate BM infiltration and iron storage in children with AL.Evidence Level: 1Technical Efficacy: 2