bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stable Immobilization of Nickel Ions on Covalent Organic Frameworks for Panchromatic Photocatalytic Hydrogen Evolution
Authors: Zhang Hualei , Lin Zheng , Kidkhunthod Pinit , Guo Jia 
Published: March 2023

AbstractPost‐coordination design on covalent organic frameworks (COFs) is an efficient strategy for elevating the photocatalytic activity of organic moiety. However, the rigid skeletons and densely layered stacking of two‐dimensional (2D) COFs cannot be flexibly adapted for specific conformations of metal complexes, thereby impairing the metal‐COF cooperation. Here, we adopt a solvothermal method to immobilize nickel(II) ions into a 2,2′‐bipyridine‐containing 2D COF, forming a stable coordination motif. Such the complex remarkably enhances the photocatalytic performance, giving an optimized H2 evolution rate of as high as 51 300 μmol h−1 g−1, 2.5 times higher than the pristine COF. The evolved hydrogen gas can also be detected upon 700‐nm light irradiation, while its analog synthesized by the traditional coordination method is photo‐catalytically inert. This work provides a strategy for optimizing the metal‐COF coordination system and strengthening a synergy for electronic regulation in photocatalysis.
Facile Access to Cyclopropylboronates via Stereospecific Deborylative Cyclization: A Leaving Group‐Assisted Activation of Geminal Diborons
Authors: Chen Xin‐Yi , Gao Feng‐Chen , Ning Peng‐Fei , Wei Yi , Hong Kai 
Published: March 2023

AbstractHerein we reported a transition metal‐free deborylative cyclization strategy, based on which two routes have been developed, generating racemic and enantioenriched cyclopropylboronates. The cyclization of geminal‐bis(boronates) bearing a leaving group was highly diastereoselective, tolerating a few functional groups and applicable to heterocycles. When optically active epoxides were used as the starting materials, enantioenriched cyclopropylboronates could be efficiently prepared with >99 % stereospecificity. Mechanistic studies showed that the leaving group at the γ‐position played a crucial role and significantly promoted the activation of the gem‐diboron moiety.
Reduction of Platinum(IV) Prodrug Hemoglobin Nanoparticles with Deeply Penetrating Ultrasound Radiation for Tumor‐Targeted Therapeutically Enhanced Anticancer Therapy
Authors: Liang Ganghao , Sadhukhan Tumpa , Banerjee Samya , Tang Dongsheng , Zhang Hanchen , Cui Minhui , Montesdeoca Nicolás , Karges Johannes , Xiao Haihua 
Published: March 2023

AbstractThe development of PtIV prodrugs that are reduced into the therapeutically active PtII species within the tumor microenvironment has received much research interest. In order to provide spatial and temporal control over the treatment, there is a high demand for the development of compounds that could be selectively activated upon irradiation. Despite recent progress, the majority of PtIV complexes are excited with ultraviolet or blue light, limiting the use of such compounds to superficial application. To overcome this limitation, herein, the first example of PtIV prodrug nanoparticles that could be reduced with deeply penetrating ultrasound radiation is reported, enabling the treatment of deep‐seated or large tumors. The nanoparticles were found to selectively accumulate inside a mouse colon carcinoma tumor upon intravenous injection and were able to eradicate the tumor upon exposure to ultrasound radiation.
Graphene Mediates Charge Transfer between Lead Chromate and a Cobalt Cubane Cocatalyst for Photocatalytic Water Oxidation
Authors: Jiang Wenchao , Zhang Lingcong , Ni Chenwei , Shi Ming , Zhao Yue , Deng Yuting , Chi Haibo , Chen Ruotian , Wang Xiuli , Li Rengui , Li Can 
Published: March 2023

AbstractThe interfacial barrier of charge transfer from semiconductors to cocatalysts means that the photogenerated charges cannot be fully utilized, especially for the challenging water oxidation reaction. Using cobalt cubane molecules (Co4O4) as water oxidation cocatalysts, we rationally assembled partially oxidized graphene (pGO), acting as a charge‐transfer mediator, on the hole‐accumulating {−101} facets of lead chromate (PbCrO4) crystal. The assembled pGO enables preferable immobilization of Co4O4 molecules on the {−101} facets of the PbCrO4 crystal, which is favorable for the photogenerated holes transferring from PbCrO4 to Co4O4 molecules. The surface charge‐transfer efficiency of PbCrO4 was boosted by selective assembly of pGO between PbCrO4 and Co4O4 molecules. An apparent quantum efficiency for photocatalytic water oxidation on the Co4O4/pGO/PbCrO4 photocatalyst exceeded 10 % at 500 nm. This strategy of rationally assembling charge‐transfer mediator provides a feasible method for acceleration of charge transfer and utilization in semiconductor photocatalysis.
Complexes Featuring a cis‐[MUM] Core (M=Rh, Ir): A New Route to Uranium‐Metal Multiple Bonds
Authors: Shen Jinghang , Rajeshkumar Thayalan , Feng Genfeng , Zhao Yue , Wang Shuao , Maron Laurent , Zhu Congqing 
Published: March 2023

AbstractAlthough examples of multiple bonds between actinide elements and main‐group elements are quite common, studies of the multiple bonds between actinide elements and transition metals are extremely rare owing to difficulties associated with their synthesis. Here we report the first example of molecular uranium complexes featuring a cis‐[M
U
M] core (M=Rh, Ir), which exhibits an unprecedented arrangement of two M
U double dative bond linkages to a single U center. These complexes were prepared by the reactions of chlorine‐bridged heterometallic complexes [{U{N(CH3)(CH2CH2NPiPr2)2}(Cl)2[(μ‐Cl)M(COD)]2}] (M=Rh, Ir) with MeMgBr or MeLi, a new method for the construction of species with U−M multiple bonds. Theoretical calculations including dispersion confirmed the presence of two U
M double dative bonds in these complexes. This study not only enriches the U
M multiple bond chemistry, but also provides a new opportunity to explore the bonding of actinide elements.
Quantification of design associated engineering properties of sesame (Sesamum indicum L.) seed varieties as a function of moisture content
Authors: Gojiya Devanand , Barad Ankitkumar , Gohil Vanraj , Dabhi Mukesh , Dhamsaniya Navnitkumar , Naliapara Viraj , Sapariya Parthkumar 
Published: March 2023

AbstractThe investigation was intended to examine the influence of selected moisture levels (4.26, 12.66, 25.31, 37.89, 50.21% wet basis) on engineering properties namely, dimensional, gravimetric, frictional, aerodynamic as well as mechanical properties of five selected varieties of sesame seed namely GT‐3, GT‐4, GJT‐5, GT‐6, and TKG 22. The investigation finds out that fluctuations in moisture level significantly (p ≤ 0.05) influenced the engineering properties assessed. Increase in moisture content influenced a rise in length, width, thickness, geometric mean diameter, arithmetic mean diameter, sphericity, volume, volumetric expansion coefficient, elongation ratio, flakiness ratio, surface area, projected area, thousand seeds weight, compressibility index, Hausner ratio, angle of repose, coefficient of friction, terminal velocity and Reynolds number of selected sesame verities. Whereas, a reverse trend was observed in aspect ratio, true density, bulk density, tapped densities, drag coefficient, and hardness with moisture content variation. The frictional characteristic of the seed showed improved stability with less flow ability at higher moisture levels. These outcomes disclosed that variation of seed moisture content is authoritative during designing and construction of machinery and process equipment related to sesame. It may be also beneficial in computation of design for hoppers, silos, conveyors, drying, and heat transfer equipment as well as other sesame seed‐related process and handling equipment.
High Dielectric Constants in BaTiO3 Due to Phonon Mode Softening Induced by Lattice Strains: First Principles Calculations
Authors: Guo Hengkai , Baker Jack S. , Wu Wei , Choy Kwang Leong 
Published: March 2023

AbstractHigh‐dielectric‐constant materials attract much attention due to their broad applications in modern electronics. Barium titanate (BTO) is an established material possessing an ultrahigh dielectric constant; however, a complete understanding of the responsible underlying physical mechanism remains elusive. Here a set of density‐functional‐theory calculations for the static dielectric tensors of barium titanate under strain has been performed. The dielectric constant increases to ≈7300 under strain. The analysis of the computed vibrational modes shows that transverse vibrational mode softening (the appearance of low‐frequency modes) is responsible for this significant increase as driven by the relationship between lattice contribution for the static dielectric constant (k) and vibrational frequency (ω), i.e., . The relevant vibrational mode indicates a large counter‐displacement of Ti ions and O anions, which greatly enhances electrical dipoles to screen the electric field. The calculations not only interpreted experimental data on the high dielectric constants of BTO, where the lattice deformation due to the strains from the grain nanostructure plays an important role, but also pointed to exploring high‐throughput calculations to facilitate the discovery of the advanced dielectric materials. Moreover, the calculations can prove useful for doped BTO, for which local strains fields can be achieved using defect engineering.
Geospatial model of composition of water service lines in Flint,Michigan: Validation using excavation data and a new compositional geostatistical approach
Authors: Goovaerts Pierre 
Published: March 2023

AbstractFollowing the Flint drinking water crisis, a service line (SL) replacement program was implemented to replace lead SLs and galvanized SLs connecting residences to Flint's water system, leading to the excavation and inspection over a 5‐year period (2016–2020) of a total of 26,750 lines, representing close to 50% of all tax parcels in the City of Flint. These recent data were used to validate an earlier geospatial model created by residual indicator kriging (IK) to predict the probability that a home has a lead, galvanized, or copper private‐side SL based on neighboring house inspections (i.e., 3254 homes visited in 2017) and secondary information (i.e., built year and city records on SL composition). Receiver operating characteristic curves indicated an average frequency of detection (i.e., area under the curve [AUC]) of 0.9 for copper and galvanized material and 0.6 for lead service lines. Predicting the composition of SL at unmonitored residences by IK, however, can result in negative probabilities of occurrence and probabilities that do not sum to 1. These limitations were overcome by adopting simplicial IK, whereby data undergo a logratio transform before the geospatial analysis. This first application of a compositional approach to SL data improved the detection of lead SLs (AUC = 0.8 vs. 0.6) while providing coherent predictions. Incorporating secondary information, in particular using standardized cokriging and a new rescaled cross‐semivariogram estimator introduced to correct for geographical clustering of house inspections, increased the accuracy of the prediction.
On efficient posterior inference in normalized power prior Bayesian analysis
Authors: Han Zifei , Zhang Qiang , Wang Min , Ye Keying , Chen Ming‐Hui 
Published: March 2023

AbstractThe power prior has been widely used to discount the amount of information borrowed from historical data in the design and analysis of clinical trials. It is realized by raising the likelihood function of the historical data to a power parameter , which quantifies the heterogeneity between the historical and the new study. In a fully Bayesian approach, a natural extension is to assign a hyperprior to δ such that the posterior of δ can reflect the degree of similarity between the historical and current data. To comply with the likelihood principle, an extra normalizing factor needs to be calculated and such prior is known as the normalized power prior. However, the normalizing factor involves an integral of a prior multiplied by a fractional likelihood and needs to be computed repeatedly over different δ during the posterior sampling. This makes its use prohibitive in practice for most elaborate models. This work provides an efficient framework to implement the normalized power prior in clinical studies. It bypasses the aforementioned efforts by sampling from the power prior with and only. Such a posterior sampling procedure can facilitate the use of a random δ with adaptive borrowing capability in general models. The numerical efficiency of the proposed method is illustrated via extensive simulation studies, a toxicological study, and an oncology study.
Circ‐Bnc2 alleviates neuroinflammation in LPS‐stimulated microglial cells to inhibit neuron cell apoptosis through regulating miR‐497a‐5p/HECTD1 axis
Authors: Chen Yanfang , Cao Peng 
Published: March 2023

AbstractBackgroundNeuroinflammation caused by microglia cells activation and the apoptosis of neuron cells are associated with the occurrence of depression. Circ‐Bnc2 has been shown to be significantly downregulated in depression mice, but its role in the progression of depression remains unclear.MethodsLipopolysaccharide (LPS) was used to treat BV2 microglial cells to induce neuroinflammation. The expression of circ‐Bnc2, microRNA (miR)‐497a‐5p, and HECT domain E3 ubiquitin protein ligase 1 (HECTD1) was measured by quantitative real‐time PCR. The protein levels of neuroinflammation markers, apoptosis markers, and HECTD1 were determined by western blot analysis. ELISA assay was used to examine the concentrations of inflammatory factors. After HT22 cells were cultured with the conditioned medium of LPS‐induced BV2 cells, the proliferation and apoptosis of HT22 cells were assessed by cell counting kit 8 assay, EdU assay, and flow cytometry. In addition, the interaction between miR‐497a‐5p and circ‐Bnc2 or HECTD1 was confirmed by dual‐luciferase reporter assay, RIP assay, and RNA pull‐down assay.ResultsOur data showed that circ‐Bnc2 was lowly expressed in LPS‐induced BV2 cells. Function experiments suggested that circ‐Bnc2 could inhibit LPS‐induced neuroinflammation in BV2 cells to repress HT22 cell apoptosis and promote proliferation. Circ‐Bnc2 could sponge miR‐497a‐5p, and the neuroprotective function of circ‐Bnc2 could be reversed by miR‐497a‐5p overexpression. Additionally, miR‐497a‐5p could target HECTD1. miR‐497a‐5p inhibitor could alleviate LPS‐induced neuroinflammation in BV2 cells and reduce HT22 cell apoptosis, which also could be reversed by HECTD1 knockdown. Moreover, circ‐Bnc2 had a positive regulation on HECTD1 expression by sponging miR‐497a‐5p.ConclusionIn summary, our results confirmed that circ‐Bnc2 could inhibit neuroinflammation and neuron cell apoptosis by regulating miR‐497a‐5p/HECTD1 axis, suggesting that circ‐Bnc2 might be a potential target for depression treatment.
The association between anemia and depression in older adults and the role of treating anemia
Authors: Ahmed Tamer , Lamoureux‑Lamarche Catherine , Berbiche Djamal , Vasiliadis Helen‐Maria 
Published: March 2023

AbstractObjectivesTo investigate the association between anemia and depression and whether the treatment of anemia modifies the effect of the association between anemia and depression.MethodsThis secondary data analysis is based on data from the Enquête sur la santé des aînés (ESA)‐Services study conducted in 2011–2013 on community‐dwelling older adults recruited in primary care and have given access to their medico‐administrative data (n = 1447). The presence of anemia was self‐reported, as was depression (major and minor) aligned with symptoms of the DSM‐5. Treated anemia was based on the presence of medications delivered to participants. Cross‐sectional associations were analyzed using multivariable logistic regression, controlling for confounders.ResultsThe prevalence of self‐reported anemia in our sample was estimated at 6.7%. Self‐reported anemia was associated with increased odds of depression. Individuals with untreated anemia had a 2.6‐fold increased odds of depression compared to those with no anemia. In contrast, the odds of depression in individuals with treated anemia were not different from individuals with no anemia.ConclusionThe findings underline the importance of treating anemia in older adults. Future longitudinal studies are needed to replicate the findings and further explore the role of treating anemia on symptoms of depression.
Palmitic acid‐ and cysteine‐functionalized nanoparticles overcome mucus and epithelial barrier for oral delivery of drug
Authors: Xie Yinzhuo , Jin Zheng , Ma Da , Yin Tan Hui , Zhao Kai 
Published: March 2023

AbstractNanoparticles (NPs) used for oral administration have greatly improved drug bioavailability and therapeutic efficacy. Nevertheless, NPs are limited by biological barriers, such as gastrointestinal degradation, mucus barrier, and epithelial barrier. To solve these problems, we developed the PA‐N‐2‐HACC‐Cys NPs loaded with anti‐inflammatory hydrophobic drug curcumin (CUR) (CUR@PA‐N‐2‐HACC‐Cys NPs) by self‐assembled amphiphilic polymer, composed of the N‐2‐Hydroxypropyl trimethyl ammonium chloride chitosan (N‐2‐HACC), hydrophobic palmitic acid (PA), and cysteine (Cys). After oral administration, the CUR@PA‐N‐2‐HACC‐Cys NPs had good stability and sustained release under gastrointestinal conditions, followed by adhering to the intestine to achieve drug mucosal delivery. Additionally, the NPs could penetrate mucus and epithelial barriers to promote cellular uptake. The CUR@PA‐N‐2‐HACC‐Cys NPs could open tight junctions between cells for transepithelial transport while striking a balance between mucus interaction and diffusion through mucus. Notably, the CUR@PA‐N‐2‐HACC‐Cys NPs improved the oral bioavailability of CUR, which remarkably relieved colitis symptoms and promoted mucosal epithelial repair. Our findings proved that the CUR@PA‐N‐2‐HACC‐Cys NPs had excellent biocompatibility, could overcome mucus and epithelial barriers, and had significant application prospects for oral delivery of the hydrophobic drugs.
The interpubic cavity: A scoping review
Authors: Mazura Matej , Hromadka Rastislav , Kopriva Tomas , Benes Michal , Kachlik David 
Published: March 2023

AbstractThe interpubic cavity (cleft) is a narrow, slit‐like, oval‐shaped cavity which has frequently been described within the fibrocartilaginous interpubic disc. The aim of this article is to thoroughly analyze what is known about the interpubic cavity. The following three scientific databases (PubMed, Web of Science and Google Scholar) were systematically searched. Combinations of the search terms “interpubic cleft”, “interpubic cavity”, “symphysis pubis cleft”, “symphysis pubis cavity” and “symphysis cleft sign” were used. All databases were searched from inception until August of 2022. Searching of the three databases resulted in 711 hits, of which 280 remained after checking for duplicates. In the first step, 152 studies were excluded due to irrelevant content. Thus, 128 proceeded to the second step, of which 23 were finally selected for meeting the objectives of this review. Until now the reason for the cavity forming remains unclear. The interpubic cavity is present in the anterior portion of the interpubic disc, within 2 mm from its anterior margin. There is no predilection in the craniocaudal dimension. The secondary cavity is usually called a “cleft sign”. The results of our scoping review summarize information about the interpubic cavity. Its composition and morphology are still not well understood.
Fuzzy models for quasi‐static calculations of single ground plane coupled CPW by CADMFILT software
Authors: Karpuz Ceyhun , Urhan Mehmet , Gorur Ali K. , Gorur Adnan 
Published: March 2023

AbstractIn this paper, two new subdesign tools including the quasi‐static and fuzzy model calculations for the electrical parameters of the coupled planar transmission lines used in the design of microwave communication subsystems including resonators, filters, and multiplexers are presented for CADMFILT software. Proposed subdesign tools have properties such as electrical parameter calculations for microwave circuit analysis/synthesis, fuzzy logic model applications, comparisons, and graphical demonstrations. The first subdesign tool can calculate the electrical parameters of the coupled planar transmission lines by using the quasi‐static analysis method. The other tool is based on subtractive fuzzy clustering, which can offer approximate solutions as an alternative to numerical and analytical closed‐form expressions of quasi‐static analysis. The proposed subdesign tools have a competent and efficient algorithm to provide fast, accurate, and sensitive results. To test the accuracy of these tools, a coupled coplanar waveguide with a single ground plane structure has been performed. The results obtained from the subdesign tools for both approaches have been compared. The proposed fuzzy logic models use the electrical parameters calculated from the quasi‐static analysis as training and control data files. The accuracy of each model has been tested by error analysis and the validity of the model results has been demonstrated by comparing them with the results of the quasi‐static approach. It is expected that the developed efficient, fast, and versatile subdesign tools will help researchers to simplify their designs by providing a control mechanism in the RF/microwave circuit design processes.
Acetylcholinesterase Inhibitory Activity of Modified Lupane, Oleanane, and Ursane A‐seco‐Triterpenoids
Authors: Petrova Anastasiya V. , Kazakova Oxana B. , Nazarov Ivan S. , Csuk René , Heise Niels V. 
Published: March 2023

AbstractA series of new lupane, ursane, and oleanane type triterpenic A‐seco‐derivatives containing bromo‐, azido‐, alkyne‐, 1H‐tetrazol‐5‐yl‐, 5‐methyloxazol‐2‐yl‐,N‐(4‐(4‐methylpiperazin‐1‐yl)but‐2‐yn‐1‐yl), and a carbonyl group at C2, C24, C28, C30 positions has been synthesized. The bioactivity was evaluated by Ellman's method, and the results showed that most of the compounds displayed moderate acetylcholinesterase inhibitory activitiesin vitro. Among them, A‐seco‐derivatives of 28‐oxo‐allobetuline and betulinic acid with bromo‐ and azido‐groups exhibited the most potent inhibitory activity against AChE. Extra experiments showed methyl 2‐cyano‐3,4‐seco‐dibromo‐ and 2‐cyano‐3,4‐seco‐diazido‐derivatives of betulinic acid as mixed‐type inhibitors, with Ki values as low as Ki=0.18 μM and Ki=0.21 μM, respectively.