bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Investigation of Allyl‐Substituted Bis(Diphosphine) Iron Complexes: Towards Precursors for Cooperative CO2 Activation
Authors: Durfy Connor S. , Zurakowski Joseph A. , Jobin Gabriel , Drover Marcus W. 
Published: September 2023

AbstractIn developing homogenous catalysts capable of CO2 activation, interaction with a metal center is often imperative. This work provides primary efforts towards the cooperative activation of CO2 using a Lewis acidic secondary coordination sphere (SCS) and iron via a paired theoretical/experimental approach. Specifically, this study reports efforts towards [Fe(diphosphine)2(N2)] as a CO2‐coordinated synthon where diphosphine=1,2‐bis(di(3‐cyclohexylboranyl)propylphosphino)ethane) (P2BCy4) or its precursor, 1,2‐bis(diallylphosphino)ethane (tape). Initial efforts toward the {Fe(0)‐N2} complex were focused on deprotonation reactions of [Fe(diphosphine)2(H)(NCCH3)]+ and reduction of [Fe(tape)2Cl2]. In the latter case, a mixture of intramolecularly π‐bonded alkene and associated metallacyclic Fe(II)—H species were produced – heating this mixture provided the hydride as the major product. Notably, the interconversion of this pair counters that of related intermolecular reactions between [Fe(depe)2] (depe=1,2‐bis(diethylphosphino)ethane) and ethylene, where hydride formation occurs subsequent to π‐coordination; this has been probed by theoretical calculations. Finally, reactivity of the metallacyclic {Fe(II)—H} complex with CO2 was probed, resulting in a pair of isomeric ferra(II)lactones.
Aptamer‐Based Antibiotic Electrochemical Detection Platform Using Portable Plastic Gold Electrode and Multichannel Chip
Authors: Bao Yin , Cai Kaiwei , Liu Yichen , Li Bingling 
Published: September 2023

Comprehensive SummaryThe development of accurate, rapid and practical electrochemical sensing technology for antibiotic detection has an important application prospect in many fields such as food safety, environmental monitoring, medical and health care. In this research, kanamycin specific DNA aptamer and its partially complementary short chain were self‐assembled onto the surface of an integrated portable plastic gold electrode (PGE) by Au—S bond, and a simple kanamycin electrochemical biosensor interface was constructed. At the same time, the epoxy resin channel layer was designed, and the auxiliary instrument was set up independently in the laboratory, which could help to measure and analyze eight groups of samples automatically in turn. The quantitative analysis results showed that in 20 min, the sensor had a good linear relationship between the peak current change of square wave voltammetry and the negative logarithm of kanamycin concentration when kanamycin concentration was in the range of 1—1000 μmol/L, and the detection limit could reach 0.40 μmol/L. In addition, the discrimination could be achieved within 5 min in the real‐time analysis mode. The sensor had a simple construction method, good selectivity and stability, and could be used for rapid or real‐time detection of kanamycin residues in actual water samples, which provided a new direction for the practical detection of kanamycin in environmental water samples.
Relationship between ideal cardiovascular health score and perioperative acute kidney injury: A case‐control study
Authors: Li Jin‐Qiu , An Yuan , Wang Tai , Guo Ping‐Xuan , Chen Shuo‐Hua , Liu Bing‐Bing , Liu Hai 
Published: September 2023

AbstractBackgroundMaintaining ideal cardiovascular health scores (CHS) may indirectly contribute to reducing the risk of perioperative acute kidney injury (AKI), which has never been explored previously. In this study, we aimed to explore the relationship between CHS and AKI and provide new ideas for AKI prevention and treatment.MethodsWe examined the effects of CHS on the occurrence of AKI among 2783 participants from the Kailuan study, who received general anesthesia during noncardiac surgery from 2016 to 2020. The odds ratios (ORs) and 95% confidence intervals (95% CIs) for AKI were calculated by using the logistic regression.ResultsAmong 2783 participants 187 were diagnosed with perioperative AKI. We found an inverse relationship between the CHS scores and the risk of AKI. Participants with CHS score ≥ 10 had 57% decreased risk of AKI (OR = 0.43, 95% CI = 0.23, 0.79), compared with participants with CHS score ≤ 7, especially in men (OR = 0.39, 95% CI: 0.20, 0.76). In addition, participants who never smoked, exercised frequently, and had normal blood pressure had decreased risk of AKI, with corresponding ORs (95% CIs) of 0.66 (0.47, 0.91), 0.73 (0.60, 0.92), and 0.46 (0.28, 0.75), respectively.ConclusionsCHS was strongly associated with the risk of perioperative AKI, and higher CHS scores were associated with a lower risk of AKI. Further research is needed to explore the long‐term effects of achieving and maintaining an ideal CHS on AKI risk.
Molecular Conformations of Shape Anisometrically Variant Mesogens in Liquid Crystalline Phase Studied by 13C NMR Spectroscopy
Authors: Veeraprakash Bathini , Shanavas Abdul K. J. , Reddy Goddeti S. M. , Lobo Nitin P. , Ramanathan Krishna V. , Narasimhaswamy Tanneru 
Published: September 2023

AbstractMesogens that vary in shape anisometry have been investigated by 13C solid‐state NMR in the liquid crystalline phase to inspect the conformations. The molecules examined comprise of (i) rod‐like mesogen with three‐phenyl ring core and terminal hexyloxy chains, (ii) three‐ring core linked to the fourth phenyl ring via a spacer, and (iii) trimesic acid connected to three side arms core units through a spacer. The order parameter (Szz) values for the phenyl rings of the rod‐like mesogen are 0.65–0.68, while the mesogen with a three‐ring core linked to a phenyl ring via spacer showed dissimilarity. Consequently, for the core unit phenyl rings, Szz is ~0.70, and the terminal phenyl ring showed a low value of 0.12. For the trimesic acid based mesogen, the Szz value for the side arm phenyl rings is ~0.53, and for the central phenyl ring, a very low value of 0.11 is witnessed. By considering the ordering of the rod‐like mesogen as a yardstick and employing the ratios of Szz values of the phenyl rings, the average conformations of other mesogens are arrived. Accordingly, for the trimesic acid based mesogen, a tripod‐like conformation instead of λ shape is proposed in the liquid crystalline phase.
Computational Energy Spectra of the H2O@C70 Endofullerene
Authors: Carrillo‐Bohórquez Orlando , Valdés Álvaro , Prosmiti Rita 
Published: September 2023

AbstractA water molecule confined inside the C70 fullerene was quantum‐mechanically described using a computational approach within the MCTDH framework. Such procedure involves the development of a full‐dimensional coupled hamiltonian, with an exact kinetic energy operator, including all rotational, translational and vibrational degrees of freedom of the endofullerene system. In turn, through an effective pairwise potential model, the ground and rotationally excited states of the encapsulated H2O inside the C70 cage were calculated, and traced back to the isotropic case of the H2O@C60 endofullerene in order to understand the nature and physical origin of the symmetry breaking observed experimentally in the latter system. Moreover, the computational scheme used here allows to study the quantization of the translational movement of the encapsulated water molecule inside the C70 fullerene, and to investigate the confinement effects in the vibrational energy levels of the H2O@C70 system.
19‐color, 21‐Antigen Single Tube for Efficient Evaluation of B‐ and T‐cell Neoplasms
Authors: Chan Alexander , Gao Qi , Roshal Mikhail 
Published: September 2023

AbstractNon‐Hodgkin lymphoma (NHL) is a heterogeneous disease, encompassing a wide variety of individually distinct neoplastic entities of mature B‐, T‐, and NK‐cells. While they constitute a broad category, they are the most common hematologic malignancies in the world. The distinction between different neoplastic entities requires a multi‐modal approach, such as flow cytometric immunophenotyping, which can exclude a neoplastic proliferation and help narrow the differential diagnosis. This article describes a flow cytometric test developed at Memorial Sloan Kettering Cancer Center to assess B‐, T‐, and NK‐cells in a single tube, 21‐antibody, 19‐color assay. The assay can identify most B‐ and T‐cell NHLs with high specificity and sensitivity and significantly narrow the differential when a specific diagnosis cannot be made. The basic protocol provides a detailed operational procedure for sample processing, staining, and cytometric acquisition. The support protocol provides typical steps and caveats for data analysis in lymphoproliferative disorders and in discriminating a variety of specific disease entities from each other and normal lymphoid populations. © 2023 Wiley Periodicals LLC.Basic Protocol: Processing, staining, and cytometric analysis of samples for B‐ and T‐cell assessmentSupport Protocol: Analysis and interpretation of the B‐ and T‐cell lymphocyte assay
Exploring the trait‐yield association patterns in different oat mega‐environments of Canada
Authors: Yan Weikai , Hadinezhad Mehri , Dehaan Brad , Hayes Matt , Orozovic Savka , Nilsen Kirby T. , MacEachern Dan , Telmosse Genevieve , Beattie Aaron , Booker Helen , Byker Holly , Cummiskey Allan , Morasse Isabelle , Mountain Nathan , Drummond Melinda , Zhang Zhanghan , Holzworth Michael , Durand Julie , Chen Yuanhong 
Published: September 2023

AbstractThis article presents a graphical method to visually analyze the trait–yield association (TYA) patterns based on data from multi‐location, multi‐year crop variety trials, exemplified using oat data from trials conducted across Canada from 2017 to 2022. Each year a new set of 60–66 oat (Avena sativa L.) breeding lines were tested in replicated yield trials at 9–11 locations, and data for yield, key agronomic and quality traits, and crown rust scores were collected at all or some of the locations. Pearson correlation coefficient was calculated between yield and each trait for each trial. The correlation coefficients from different locations and years were arranged in a TYA × trial (TYT) two‐way table. This table was subjected to singular value decomposition, and the resulting first two principal components were used to generate a TYT biplot. The TYT biplot revealed three oat mega‐environments (MEs) in Canada, consistent with the conclusion from previous ME analyses, indicating that each ME had its characteristic TYA patterns. It was found that yield was consistently and positively correlated with crown rust (Puccinia coronata var. avenae) resistance, test weight, kernel weight, and groat content in ME1 (the crown rust‐prone regions of Ontario); yield was correlated positively with plant height but negatively with oil content in ME2 (the northern regions of eastern Canada). Interestingly, crown rust resistance was found to contribute negatively to yield in ME2. No strong and consistent TYAs were found in ME3 (the Canadian prairies). Different types of TYAs have different uses in genotypic selection.
The Underlying Catalytic Role of Oxygen Vacancies in Fatty Acid Methyl Esters Ketonization over TiOx Catalysts
Authors: Yazdanpanah Mohammad , Fereidooni Mohammad , Márquez Victor , Paz C. V. , Saelee Tinnakorn , Salazar Villanueva Martin , Rittiruam Meena , Khajondetchairit Patcharaporn , Praserthdam Supareak , Praserthdam Piyasan 
Published: September 2023

AbstractRecently, interest in converting bio‐derived fatty acid methyl esters (FAMEs) into added‐value products has significantly increased. The selectivity of ketonization reaction in the conversion of the FAMEs has significantly hampered the efficiency of this process. Herein, this work reports the preparation of catalysts with different levels of oxygen vacancies while the crystal phase remained unchanged. The catalyst with the highest level of oxygen vacancy exhibited the maximum selectivity. The density functional theory (DFT) simulation showed an increase in interatomic distances leading to the formation of frustrated Lewis pairs (FLPs) upon the creation of oxygen vacancies. The surface measurements, type and density of acid sites of the catalysts, showed that the Lewis acid sites enhanced the selectivity for ketone production; while Bronsted acid sites increased the formation of by‐products. Moreover, the ketone formation rate was directly proportional to acid density. The findings of this research provide a different approach for catalyst design, based on defects engineering and their effect on the surface activity, which could be used for enhancing the catalytic performance of novel metal oxides.
Interface Charge Distribution Engineering of Pd‐CeO2/C for Efficient Carbohydrazide Oxidation Reaction
Authors: Hu Tianjun , Liu Jiali , Yuan Hongjie , Zhang Limin , Wang Ying 
Published: September 2023

AbstractCarbohydrazide electrooxidation reaction (COR) is a potential alternative to oxygen evolution reaction in water splitting process. However, the sluggish kinetics process impels to develop efficient catalysts with the aim of the widespread use of such catalytic system. Since COR concerns the adsorption/desorption of reactive species on catalysts, the electronic structure of electrocatalyst can affect the catalytic activity. Interface charge distribution engineering can be considered to be an efficient strategy for improving catalytic performance, which facilitates the cleavage of chemical bond. Herein, highly dispersed Pd nanoparticles on CeO2/C catalyst are prepared and the COR catalytic performance is investigated. The self‐driven charge transfer between Pd and CeO2 can form the local nucleophilic and electrophilic region, promoting to the adsorption of electron‐withdrawing and electron‐donating group in carbohydrazide molecule, which facilitates the cleavage of C−N bond and the carbohydrazide oxidation. Due to the local charge distribution, the Pd‐CeO2/C exhibits superior COR catalytic activity with a potential of 0.27 V to attain 10 mA cm−2. When this catalyst is used for energy‐efficient electrolytic hydrogen production, the carbohydrazide electrolysis configuration exhibits a low cell voltage (0.6 V at 10 mA cm−2). This interface charge distribution engineering can provide a novel strategy for improving COR catalytic activity.
Position‐only planar hexagonal array antenna pattern nulling with simultaneous side lobe reduction at multiple azimuth planes
Authors: Misra Bitan , Mahanti Gautam Kumar 
Published: September 2023

SummaryThis article presents a study on the placement of multiple nulls as well as minimization of side lobe level in the radiation pattern using a planar hexagonal antenna array structure in two different vertical planes. The desired null depth is achieved to suppress the interference signal by the position‐only control of the uniformly excited isotropic antennas in the array structure. The immediate solution to the mentioned computational problem is reached by various meta‐heuristic optimization algorithms such as teaching learning‐based optimization (TLBO), symbiotic organism search (SOS), and moth fly optimization (MFO) within a considerably reduced processing time with a control over the design constrains. Various examples for diversified scenarios are demonstrated to place multiple deep nulls in the radiation pattern without compromising the pattern constraints and all other radiation pattern characteristics. This experiment sought to illustrate and quantify the unique benefits and limitations of proposed technique using three considered meta‐heuristic optimization algorithm.
Inking cell blocks improves scanner detection for diagnosis in pathology
Authors: Eloy Catarina , Neves Beatriz , Vale João , Campelos Sofia , Curado Mónica , Polónia António 
Published: September 2023

AbstractCell blocks may be hard to be totally automatically detected by the scanner (ADS), generating incomplete whole slide images (WSIs), with areas that are not scanned, leading to possible false negative diagnosis. The aim of this study is to test if inking the cell blocks helps increasing ADS. Test 1: 15 cell blocks were sectioned, one half inked black (1HB) and the other inked green (1HG). Each of the halves was individually processed to generate a WSI stained by the H&E. 1HBs and 1HGs had similar scanning time (median 59 s vs. 65 s, p = .126) and file sizes (median 382 Mb vs. 381 Mb, p = .567). The black ink interfered less in the observation (2.2% vs. 44.4%; p < .001) than in the green one. Test 2: 15 cell blocks were sectioned, one half inked black (2HB) and the other left unstained/null (2HN). Each of the halves was individually processed to generate three WSIs—one HE, one periodic‐acid Schiff (PAS), and one immunostained by cytokeratin AE1&AE3 (CKAE1AE3). HE and PAS WSIs from both 2HN and 2HB groups were all totally ADS and had similar scanning times and file sizes. Concerning immunostaining with CKAE1AE3: ADS (46.7% vs. 93.3%; p = .014), median time for scanning (57 s vs. 83 s; p < .001) and file size (178 Mb vs. 338 Mb; p < .001) were reduced significantly in the 2HN group in comparison with the 2HB. Although increasing scanning time and file size, inking the cell blocks helps increasing ADS after immunostaining, improving the safety and efficiency of the digital pathology workflow.
Population effectiveness of endoscopy screening for mortality reduction in gastric cancer
Authors: Ishii Naoki , Shiratori Yasutoshi , Ishikane Masahiro , Omata Fumio 
Published: September 2023

AbstractObjectivesNo randomized controlled trials have compared endoscopic screening with no screening for gastric cancer on an intention‐to‐screen basis, and the population‐based evidence is insufficient. This study aimed to identify factors contributing to the population effectiveness of cancer screening, estimate the number needed to screen (NNS) to reduce one gastric cancer‐related death, and evaluate the expected mortality‐rate reduction in endoscopic screening for gastric cancer in 184 countries.MethodsFactors contributing to the attributable risk, NNS, and mortality‐rate reduction were identified. A rapid review was performed in PubMed to estimate the pooled relative risk of endoscopic screening compared to that of no screening for mortality reduction. NNSs and mortality‐rate reduction were estimated using the pooled relative risk and GLOBOCAN data.ResultsThe crude mortality rate, the effectiveness of the screening modality, and the screened rate contributed to the attributable risk, NNS, and mortality‐rate reduction in cancer screening. The pooled relative risk was 0.58 in endoscopy screening compared to that in no screening. NNSs and expected mortality‐rate reduction differed across countries and ranged from 2522 to 91,575 and 0.2 to 7.9 (per 100,000 individuals) for the screened rate of 20%, respectively.ConclusionsIn addition to the effectiveness of the used modality, the disease burden and screened rate were important in the population effectiveness of cancer screening. Regarding the high NNSs and the low expected mortality‐rate reduction, population‐based endoscopic screening seems not to be effective in many countries, and these results are meaningful in decision‐making regarding the introduction of endoscopic screening.
Glycolytic metabolite phosphoenolpyruvate protects host from viral infection through promoting AATK expression
Authors: Zhao Lu , Song Renjie , Liu Yang 
Published: September 2023

AbstractViral infections can result in metabolism rewiring of host cells, which in turn affects the viral lifecycle. Phosphoenolpyruvate (PEP), a metabolic intermediate in the glycolytic pathway, plays important roles in several biological processes including anti‐tumor T cell immunity. However, whether PEP might participate in modulating viral infection remains largely unknown. Here, we demonstrate that PEP generally inhibits viral replication via upregulation of apoptosis‐associated tyrosine kinase (AATK) expression. Targeted metabolomic analyses have shown that the intracellular level of PEP was increased upon viral infection. PEP treatment significantly restricted viral infection and hence declined subsequent inflammatory response both in vitro and in vivo. Besides, PEP took inhibitory effect on the stage of viral replication and also decreased the mortality of mice with viral infection. Mechanistically, PEP significantly promoted the expression of AATK. Knockdown of AATK led to enhanced viral replication and consequent increased levels of cytokines. Moreover, AATK deficiency disabled the antiviral effect of PEP. Together, our study reveals a previously unknown role of PEP in broadly inhibiting viral replication by promoting AATK expression, highlighting the potential application of activation or upregulation of the PEP‐AATK axis in controlling viral infections.
Efficient CrIII Ion Governed Energy Migration for Broadband Near‐Infrared Emission in Ca3Sc2Ge3O12 Garnet Phosphor
Authors: Ni Quwei , Huo Jiansheng , Zhu Qijian , Zhou Jianbang , Sun Wenjie , Huang Yutong , Long Chenggang , Wang Qianming 
Published: September 2023

AbstractThe rapid growth in phosphor‐converted near‐infrared light‐emission diodes (NIR‐LEDs) has led to the development of NIR emitter with high efficiency, broadband emission and high thermal stability. In this work, an efficient broad NIR emission of Cr3+ in novel Ca3Sc2Ge3O12 (CSGO) garnet‐based host was developed for the first time, which located at 700 to 1000 nm peaking at 817 nm with a broad bandwidth of ~128 nm. Such a broadband NIR emission originated from the preferential occupancy of Cr3+ in Sc3+ sites with weak octahedral field, which was manifested by the luminescence spectrum and decay behaviors. The Cr3+‐doping concentration was regulated to achieve a good internal quantum efficiency (IQE) of 72.1 % and a fantastic thermal stability (at 423 K, sustained approximately 85 % of the initial intensity). The mechanism for concentration and thermal quenching was further investigated. Benefiting from the excellent luminescence features, a prototype NIR‐LEDs was assembled via integrating the optimized samples with commercial blue InGaN LED chips, which exhibited a satisfactory photoelectric property and a brilliant performance in night vision. These results demonstrated the as‐obtained sample to be a great potential candidate for NIR‐LEDs.
Distance‐based cell range extension and almost blank sub‐frame for load balancing and interference mitigation in 5G and beyond heterogeneous networks
Authors: Alam Mohammed Jaber , Hossain Md Rahat , Chugh Ritesh , Azad Salahuddin 
Published: September 2023

AbstractThe goal of deploying LTE‐Advanced heterogeneous networks is to meet the growing need for Quality of Service (QoS), high data rates, and more coverage. Load balancing is one of the biggest problems, especially when User Equipment (UE) uses received signal strength to connect to different transmission power network tiers. Spectrum for small cells has not been used to its full potential. While all the cells are using the same frequency spectrum and the small cells overlap the Macro Cells, preventing interference is another big problem. The proposed Cell Range Extension (CRE) and Almost Blank Sub‐frame (ABS) provides a solution to overcome these challenges. The proposed ABS in this paper is novel because it is a partial muting one rather than the full muting ABS in recent research studies. In addition, the cell association method is by distance rather than conventional Reference Signal Received Power (RSRP). CRE‐ABS has been applied simultaneously to solve both load balancing and interference. Simulation results show that the proposed scheme achieves substantial throughput and Jain's Fairness Index (JFI).