bluuebunny/crossref_metadata_2025 huggingface dataset:
Combining Super Learner with high‐dimensional propensity score to improve confounding adjustment: A real‐world application in chronic lymphocytic leukemia
Authors: Dhopeshwarkar Neil , Yang Wei , Hennessy Sean , Rhodes Joanna M. , Cuker Adam , Leonard Charles E.
Published: August 2023

Purpose

High‐dimensional propensity score (hdPS) is a semiautomated method that leverages a vast number of covariates available in healthcare databases to improve confounding adjustment. A novel combined Super Learner (SL)‐hdPS approach was proposed to assist with selecting the number of covariates for propensity score inclusion, and was found in plasmode simulation studies to improve bias reduction and precision compared to hdPS alone. However, the approach has not been examined in the applied setting.

Methods

We compared SL‐hdPS's performance with that of several hdPS models, each with prespecified covariates and a different number of empirically‐identified covariates, using a cohort study comparing real‐world bleeding rates between ibrutinib‐ and bendamustine‐rituximab (BR)‐treated individuals with chronic lymphocytic leukemia in Optum's de‐identified Clinformatics® Data Mart commercial claims database (2013–2020). We used inverse probability of treatment weighting for confounding adjustment and Cox proportional hazards regression to estimate hazard ratios (HRs) for bleeding outcomes. Parameters of interest included prespecified and empirically‐identified covariate balance (absolute standardized difference [ASD] thresholds of <0.10 and <0.05) and outcome HR precision (95% confidence intervals).

Results

We identified 2423 ibrutinib‐ and 1102 BR‐treated individuals. Including >200 empirically‐identified covariates in the hdPS model compromised covariate balance at both ASD thresholds. SL‐hdPS balanced more covariates than all individual hdPS models at both ASD thresholds. The bleeding HR 95% confidence intervals were generally narrower with SL‐hdPS than with individual hdPS models.

Conclusion

In a real‐world application, hdPS was sensitive to the number of covariates included, while use of SL for covariate selection resulted in improved covariate balance and possibly improved precision.
HopBox: An image analysis pipeline to characterize hop cone morphology
Authors: Altendorf Kayla R. , Heineck Garett C. , Wakholi Collins , Tawril Anna , Raja Pranav , Rippner Devin
Published: August 2023

Hop cone morphology can influence picking and drying ability, and color can impact consumer preference and may be indicative of quality. However, these characteristics are not generally evaluated in hop breeding programs due to the tedious nature of trait quantification and the extensive variation among cones within a genotype. We developed the HopBox, which is a simply constructed light box with a camera mount, and a publicly available image processing pipeline that identifies hop cones within color‐corrected images, reads a QR code within the image, and outputs data on hop cone length, width, area, perimeter, openness, weight, color, and density. The trained model was applied to images of 500 cones each from 15 replicated advanced hop genotypes from the USDA‐ARS breeding program in Prosser, Washington. Analysis of variance revealed significant (p < 0.001) differences between genotypes for all traits measured, enabling breeders to discriminate between genotypes for selection purposes. Broad sense heritability for all traits ranged from 0.23 to 0.59. A random sampling of hop cones from the complete dataset revealed that imaging only 5–10 cones adequately captured genotypic variation and provided acceptable rank correlations (rs > 0.75); however, increasing the sample size to 30 provided optimal precision. Instructions for constructing a HopBox and the code for the analysis pipeline are publicly available online and have wide applicability for hop breeding and research.
Synthesis of 1,4‐benzodioxan derivatives and the evaluation of their biological activity as a novel juvenile hormone signaling inhibitor
Authors: Furuta Kenjiro , Yamada Naoko , Kayukawa Takumi
Published: August 2023

BACKGROUND

Juvenile hormone (JH) signaling inhibitors may be used as insect growth regulators because of their ability to control metamorphosis and reproduction in insects by regulating the action of JH.

RESULTS

We identified ethyl (E)‐3‐(4‐{[7‐ (4‐methoxycarbonylbenzyloxy)‐1,4‐benzodioxan‐6‐yl]methyl}phenyl)prop‐2‐enoate (EMBP) and observed its strong precocious metamorphosis‐inducing activity against silkworm larvae. To further elucidate its mechanism of action, we investigated the effect of EMBP on the JH‐mediated signaling pathway in vitro and in vivo. In a reporter assay using a Bombyx mori cell line, EMBP strongly suppressed the induction of reporter gene expression by Juvenile hormone I (JH I) in a concentration‐dependent manner. A parallel rightward shift was observed in the dose–response curve of JH I after treatment with EMBP, indicating that EMBP competitively inhibited JH. Moreover, we monitored developmental changes in the JH‐responsive gene, Krüppel homolog 1 (Kr‐h1), and ecdysone‐responsive gene, Broad‐Complex (BRC), in EMBP‐treated silkworm larvae. EMBP suppressed only the expression of Kr‐h1 in third‐instar larvae.

CONCLUSION

Our results demonstrated that EMBP specifically regulates the JH‐mediated Kr‐h1 signaling pathway. EMBP could be used as a lead compound in the development of new insect growth regulators. © 2023 Society of Chemical Industry.
Entanglement‐Enhanced Quantum Ranging in Near‐Earth Spacetime
Authors: Liu Qianqian , Wen Cuihong , Jing Jiliang , Wang Jieci
Published: August 2023

A quantum ranging protocol to determine the distance between an observer and a target in the near‐Earth curved spacetime is proposed. Unlike quantum illumination, the quantum ranging scheme utilizes multiple quantum hypothesis testing to simultaneously determine the presence and location of the target. The interest is in how the Earth's spacetime curvature influences photon propagation as well as the performance of the quantum ranging. It is found that the maximum potential advantage of the quantum ranging strategy in the curved spacetime outperforms its flat spacetime counterpart. It is shown that the number of transmitted modes can enhance the maximum potential advantage of the quantum ranging tasks. In contrast, the maximum potential advantage of quantum ranging cannot be significantly increased by dividing the range into multiple slices in the curved spacetime.
Adsorption of Fuchsine Dye on TiZnPbO Nanocomposites: Analytical Modeling and Interpretation
Authors: Jethave Ganesh , Fegade Umesh , Attarde Sanjay , Ansar Sabah , Bathula Chinna , Kolate Sachin , Wu Reng‐Jang
Published: August 2023

In this study, the synthesis process of TiZnPbO nanocomposite and its use for the removal of Basic Fuchsin (BF) dye from wastewater was studied. The influence of contact duration (90 min), concentration (200 mg/L), solution pH (3.0), and adsorbent dosage (0.2 g) on adsorption studies were thoroughly examined. The kinetic models (pseudo‐first‐order and pseudo‐second‐order) and isotherm models (Langmuir and Freundlich) are used to understand the adsorption mechanism and behavior of BF over adsorbents. According to the kinetic data, the models fit a pseudo‐second‐order equation which is an indication of a heterogeneous chemisorption process. The Langmuir isotherm is best fitted with R2of 0.999 and a maximum adsorption capacity of 208.33 mg/g. It was determined that the values of n for the adsorption of BF on TiZnPbO at 298 K were less than unity (n=0.516, 0.504, and 0.501). This finding showed that the BF dyes should be adsorbed on this adsorbent in a non‐parallel orientation. As for BF adsorption on TiZnPbO, the isotherm data indicated that it behaved more like a multilayer than a monolayer. The TiZnPbO adsorbent showed high recyclability at least 5 times.
Aniline‐Doped MOF‐199 in MOF‐Sensitized Solar Cells
Authors: Pieris Y.T. Poornima , Ranathunga Harith , Hettiarachchi Perera Champika V. , R. Ishanie
Published: August 2023

Metal‐organic framework (MOF)‐sensitized solar cells (MSSC) were fabricated using aniline‐doped MOF‐199. The light harvesting and semiconductor properties of MOF‐199 were fine‐tuned by introducing aniline as guest molecules. After doping with aniline structural changes were not depicted in the powder X‐ray diffraction pattern confirming the undisturbed 3D framework of MOF‐199. A clear color change was observed after doping due to which enhanced absorbance peaks were observed in the UV‐visible spectra. The modified MOF‐199 was then utilized in MOF‐sensitized solar cells as the light‐absorbing material that demonstrated a 73 % enhancement in the overall device efficiency when compared to MSSC fabricated with unmodified/neat MOF‐199.
Synthesis, Thermal and Mechanical Properties of Linear and Star Poly(L‐lactide)s
Authors: Nanok Tanin , Khanom Natthatida , Hormnirun Pimpa , Chansaenroch Chawakorn , Laobuthee Apirat
Published: August 2023

Poly(L‐lactide) with various architectures and molecular weights have been studied with respect to their thermal and mechanical properties. Their synthesis has been performed with an aluminum salen catalyst, which allows to obtain linear chains, tetrahedral 4‐arm stars and stars with two linked tetrahedra with 3 arms each, all with defined molecular weights. The polymers are characterized by their molecular weight distributions and then subjected to differential scanning calorimetry and thermogravimetric analyses, which show differences in the characteristic temperatures of not more than 10 degrees. The crystallinity index clearly increases with the weight of the chains with only a minor dependency on the topology. Thin films of the polymers are studied with respect to their elongation at break, their tensile strength, and their moduli. The elongation is most sensitive to the polymer type with a 15‐fold increase between the shortest linear polymer and the 6‐arm star polymer with the longest chains.
Design, Synthesis, and Antiproliferative Activities of 1,3‐Disubstituted 2‐Thioxoimidazolidin‐4‐one Derivatives against HepG2 and MCF‐7 Cells
Authors: Khirallah Salma M. , Ramadan Heba M. M. , El‐Deen Ibrahim M. , El rayess Ranza A.
Published: August 2023

A series of 1,3‐disubstituted‐2‐thioxoimidazolidin‐4‐one and diazine derivatives were synthesized and confirmed through IR, NMR, and mass spectrometry. The in vitro cytotoxic activity of synthesized compounds against HePG2 and MCF‐7 cells were assessed by MTT assay. Furthermore, Aromatase, VEGFR‐2, B‐Raf, cell cycle, Annexin V, caspase‐3 and sulphatase expression by PCR, and β‐catenin expression by western blot were estimated. The results revealed that the synthesized compounds possess cytotoxic activity against HePG2 and MCF‐7 cell lines. Compound 11 (2,2′‐(1E,1′E)‐1,1′‐(hydrazine‐1,2‐diylidene) bis (ethan‐1‐yl‐1‐ylidene) bis (4‐(phenyldiazenyl) phenol) had greater cytotoxic activity than staurosporine (6.24 μg/mL), with IC50 of 2.55 μg/mL against HepG2 cells and (4.21 μg/mL) against MCF‐7 cells. Moreover, the inhibitory activity against aromatase was (0.156 μg/mL), (0.23 μg/mL) against VEGFR2, and (0.25 μg/mL) against B‐Raf. Also, this compound decreased DNA content of HepG2 cells in the S phase and the G2/M phase, and increased the apoptosis in Annexin measurement. By real‐time PCR, This compound up‐regulated the expression of caspase‐3 in HepG2 cells, reduced the expression of sulphatase gene in HepG2 cells, and reduced β‐catenin expression in HepG2 by western blot analysis. Consequently, the synthesized derivatives could be a promising scaffold for the development of potent anti‐cancer agents due to their apoptotic and anti‐inflammatory activities.
New Fluoro‐ and Trifluoromethyl‐Substituted Trimethoxychalcones as Anticancer Agents: Synthesis, Bio‐evaluation, and Computational Studies
Authors: Polat M. Fatih , Anil Derya Aktas , Ozkemahli Gizem , Turkmenoglu Burcin , Hepokur Ceylan , Burmaoglu Serdar , Algul Oztekin
Published: August 2023

We designed and synthesized a novel series of trimethoxy chalcones with CF3 or F substituents at various positions of ring B, characterized using IR, NMR spectral data, and elemental analyses, based on the fact that methoxy and fluoro‐substituted chalcones are included in the literature as a pharmacophore due to their anticancer activities. All compounds (12‐21) were tested for cytotoxicity against A549, HEPG2, MCF7, and normal mouse fibroblasts (L929) using the XTT assay. The most active compound, 13, was also shown to induce MCF7 cell cycle arrest at the G0/G1 phase, indicating that they exert their antitumor potency via MCF7 cell apoptosis. The mechanisms involved in apoptotic cell death induced by compound 13 were also investigated to see if apoptotic proteins such as Bax, Bcl‐2, and p53 were involved. In addition, the compounds with the strongest apoptotic effects against human EGFR and VEGFR‐2 receptors were studied in silico. Finally, methoxy and fluoro‐substituted chalcones derivatives have been shown to have potent anticancer properties.
Recent Progress in Synthesis of Nanostructures through Ion Exchange Route and their Applications
Authors: Singh Vikram
Published: August 2023

The inorganic colloidal nanocrystals (ICNCs) have received a great deal of interest because of their tunable electronic and optical properties with coarse and finely controlled compositions, morphologies and thus, hybrid nanostructures have a wide range of applications in supercapacitor, luminescent solar concentrators (LSCs) and photothermal therapy (PPT). The ion exchange (IEx) process includes great diffusion rates of parent nanoparticles (NPs) ions from their crystal structure and their complete dissociation in specific solvents. The bond dissociation energies (BDEs) of different transition metal atoms with specific p‐block elements have been reviewed to analyze their effect on the IEx process. The alloy and doped and inorganic perovskite ICNCs have been synthesized via different IEx methodologies, showing varied photoluminescence quantum yields (PLQYs), nano‐dimensional morphology, composition, reaction time and temperature, and their performance for a specific application have been tabulated. The perovskite nanocrystals (NCs) are responsible for fast IEx dynamics that drop to homogenization in their composition, leading to NCs emitting in a narrow spectral region acting as an intermediate between those of the model NPs. The nanoscale metal‐organic particles (NMOPs) have opened plausible opportunities for their application in nanomedicine having highly enriched functionalities, well‐designed shapes/sizes, adjustable compositions, and intrinsic biodegradability. The potential to develop well‐designed heterostructures and for the growth of large‐area monocrystalline CsPbBr3 thin films provide a strong base for fundamental investigations of the intrinsic properties of perovskite‐based devices. The Cs3Sb2I9 is an active emitter layer that directs us toward low‐dimensional lead‐free A3B2X9 perovskite optoelectronic materials.
C‐Heteroatom Bond Formation via a Highly C2‐Site Selective Functionalization of Quinone Imine Ketals
Authors: Nong Xingxiu , Li Linxia , Zhou Mengting , Liu Teng
Published: August 2023

Quinone imine ketals (QIKs), as a kind of functionalized organic synthons, have attracted considerable attention in organic synthesis during recent years. In this paper, acetyl chloride, acetyl bromide, H‐phosphonate and thiophenol were used as nucleophiles to react with QIKs, providing a series of C2‐site functionalization molecules via an efficient C−Cl/C−Br/C−P/C−S bond formation with high yields and excellent selectivity under mild conditions.
Ruthenium‐Catalyzed Synthesis of Macrocyclic Isoquinolines and Isoquinolones via a C−H/N−H Annulations Reaction
Authors: Gurumurthy Palanivelu , Raja Rajini , Arumugam Natarajan , Almansour Abdulrahman I. , Kumar Raju Suresh , Perumal Karthikeyan , Parthasarathy Kanniyappan
Published: August 2023

An Ru(II)‐catalyzed C−H annulations of oximes and N‐methoxybenzamides with bridged alkyne is described. This method is useful for the efficient synthesis of various macrocyclic isoquinolines and isoquinolones in good to moderate yields. A possible mechanism, involving a key five‐membered metallacycle intermediate, alkyne insertion followed by reductive elimination to give a final annulated product has been proposed.
Synergistic modulation of oxygen vacancies and carbon atoms in TiO2 via a simple pot‐in‐pot reaction for improved visible‐light‐driven photocatalytic performances
Authors: Cui Junyan , Li Fangyuan , Zhang Yanyan , Yuan Huiyu , Jia Quanli , Yang Daoyuan
Published: August 2023

Novel synthesis methods are urgently expected for visible‐light‐driven photocatalysts. Hereby we report a series of TiO2‐based photocatalysts (T‐x) by using a simple pot‐in‐pot reaction approach. In this approach, two reaction media are isolated from each other by the crucible reactor. The obtained T‐x sample shows nanosheet‐aggregate structure and wide visible‐light absorption property with an optimal bandgap of 2.35 eV. Factors that influence the bandgap modulation, including nitrogen, fluorine, carbon and oxygen vacancy etc., are discussed in detail. Characterization results demonstrate a substantial increase of oxygen vacancies and carbon atoms in T‐x sample, which were proven to the main reason for the extended visible‐light absorption and enhanced photocatalytic performance. Under visible‐light irradiation, T‐x sample shows excellent photocatalytic degradation activity for RhB with a k value of 0.027 min−1 and good photoelectrochemical performance. Trapping experiments reveal that ⋅OH are the main active species to oxidize the RhB dye. This new pot‐in‐pot reaction approach enables synthesis of novel photocatalytic materials with wide visible‐light‐response.
Development and Characterization of Copper Nanoparticle‐Embedded pH‐responsive Polymeric Microbeads for Drug Delivery and Antibacterial Applications
Authors: Rathnam Sepuri Ranga , Reddy Obireddy Sreekanth , Gaikwad Rajendra S. , Patwari Shivaji B.
Published: August 2023

Copper nanoparticles have been utilized in a variety of therapeutic applications because of their inexpensive manufacturing and unique characteristics. In the current study, novel nanocomposites are developed to carry bioactive agents in a controlled manner. Copper nanoparticles (Cu‐NPs) were synthesized from copper sulfate using a leaf extract of Phyllanthus virgatus as a reducing agent. The obtained Cu‐NPs are loaded into the polymeric matrix of sodium alginate and locust bean gum to generate microbeads. The developed microbeads were characterized by Fourier‐transform infrared (FTIR), X‐ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), and scanning electron microscope (SEM). Swelling and in vitro release studies were performed at pH 2.0 and 7.4 at 37 °C. Metronidazole (MTD) was used as a model agent, and the antibacterial activity of microbeads was tested against Streptococcus mutans, Klebsiella pneumoniae, and Bacillus subtilis. The release kinetics and MTD release pattern were analyzed by employing the MTD release data into Korsmeyer‐Peppas equation and other kinetic models.
Spiropyrrolizidine Analogues of Rosuvastatin from N‐(4‐(4‐Fluorophenyl)‐5‐formyl‐6‐isopropylpyrimidin‐2‐yl)‐N‐methylmethanesulfonamide
Authors: Gorli Venkata Nookaapparao , Srinivasan Rajagopal
Published: August 2023

A series of spiropyrrolizidine analogues have been synthesized through 1,3‐dipolar cycloaddition of an azomethine ylide generated from isatin and L‐proline with dipolarophile which is prepared from Rosuvastatin intermediate N‐(4‐(4‐fluorophenyl)‐5‐formyl‐6‐isopropylpyrimidin‐2‐yl)‐N‐methylmethanesulfonamide and acetophenones. The stereochemistry of the cycloadduct was assigned based on the single‐crystal X‐ray structure.
Synthesis and Application of New Benzophenone Photoinitiators
Authors: Feng Chao , Wang Qin Lin , Liu Feng , Zhang Bianxiang
Published: August 2023

A series of new benzophenone derivatives were synthesized by the esterification reaction of hydroxy‐benzophenone and acyl chloride or sulfonyl chloride. All the compounds were characterization by NMR and MS spectroscopy technology. The resulting products exhibited efficient UV light absorption in the range of 225–325 nm, leading to excellent photoinitiating effects as photoinitiators in light‐cured coatings. The cured film showed comparable mechanical performance with the commercial product. Moreover, we discussed the photoinitiation mechanism of the new benzophenone derivatives, which would promote the further development of novel photoinitiators for industry application.
A Sustainable Protocol for C=C Bonds Synthesis Using Water Extract of Annona squamosa Fruit Shell Ash (WEASF)
Authors: Ettam Ashok , Rao L. Vaikunta
Published: August 2023

The use of bioresource‐derived wastes to valuable organic reactions is a new and fascinating trend in the current‐day chemistry which aims at the decrease/elimination of the use of depleting resources based chemicals. This article discusses a sustainable protocol for the synthesis of C=C bonds via the Knoevenagel condensation reaction of α‐cyano esters with aldehydes using water extract of Annona squamosa fruit shell ash (WEASF) as catalyst. These reactions have been conducted at room temperature (RT) in aqueous media and the products are purified by recrystallization. WEASF acts as biorenewable base and the process avoids the organic solvents and column‐based purifications of products. The bio‐derived WEASF also showed its high reusability in the current protocol and is a sustainable alternative to existing methods of making polysubstituted olefins.
π‐hole driven N⋅⋅⋅O/N⋅⋅⋅π Pnicogen and C⋅⋅⋅O Tetrel Bonding inNitromethane‐Carbonyl Dimers: Comprehensive Study using Matrix Isolation Infrared Spectroscopy and Quantum Chemical Computations
Authors: Mahapatra Nandalal , Chandra Swaroop , Ramanathan Nagarajan , Sundararajan Kalyanasundaram
Published: August 2023

The geometries of nitromethane‐carbonyl dimers were investigated comprehensively with formaldehyde, acetaldehyde and acetone as model Lewis bases. Pnicogen bonding involving nitrogen of nitromethane was discerned to be a stabilizing interaction along with hydrogen and tetrel (carbon) bonding interactions in all these dimers. The structures of the dimers generated at low temperatures under isolated conditions were established using infrared spectroscopy with the aid of ab initio and DFT computations. The existence of C−H⋅⋅⋅O hydrogen, O=N⋅⋅⋅O, O=N⋅⋅⋅π pnicogen and O=C⋅⋅⋅O tetrel bonding was asserted from Quantum Theory of Atoms In Molecules (QTAIM), Natural Bond Orbital (NBO), Electrostatic Potential (ESP) mapping and Non‐Covalent Interaction (NCI) analyses. Methyl substitution on formaldehyde results in the instigation of steric effect which was found to have a profound influence on the geometries of heterodimers of nitromethane‐acetaldehyde and nitromethane‐acetone. The plausible role of steric effect on pnicogen and tetrel bonding was probed through the analysis of nature of interactions in these nitromethane‐carbonyl dimer systems.
Brookite TiO2 Nanorods as Promising Electrochromic and Energy Storage Materials for Smart Windows
Authors: Xing Congcong , Yang Linlin , He Ren , Spadaro Maria Chiara , Zhang Yu , Arbiol Jordi , Li Junshan , Poudel Bed , Nozariasbmarz Amin , Li Wenjie , Lim Khak Ho , Liu Yu , Llorca Jordi , Cabot Andreu
Published: August 2023

Electrochromic smart windows (ESWs) offer an attractive option for regulating indoor lighting conditions. Electrochromic materials based on ion insertion/desertion mechanisms also present the possibility for energy storage, thereby increasing overall energy efficiency and adding value to the system. However, current electrochromic electrodes suffer from performance degradation, long response time, and low coloration efficiency. This work aims to produce defect‐engineered brookite titanium dioxide (TiO2) nanorods (NRs) with different lengths and investigate their electrochromic performance as potential energy storage materials. The controllable synthesis of TiO2 NRs with inherent defects, along with smaller impedance and higher carrier concentrations, significantly enhances their electrochromic performance, including improved resistance to degradation, shorter response times, and enhanced coloration efficiency. The electrochromic performance of TiO2 NRs, particularly longer ones, is characterized by fast switching speeds (20 s for coloration and 12 s for bleaching), high coloration efficiency (84.96 cm2 C−1 at a 600 nm wavelength), and good stability, highlighting their potential for advanced electrochromic smart window applications based on Li+ ion intercalation.
Interface Modification via Rare Earth Material to Assist Hole Migration for Efficiency and Stability Promotion of Perovskite Solar Cells
Authors: Shi Chang , Xiao Shuping , Wang Ziyi , Xiang Wuchen , Wu Rui , Yu Xueli , Ma Liang , Qin Zhongli , Xiong Lun , Liu Qingbo , Jiang Xingmao , Fang Guojia , Qin Pingli
Published: August 2023

Interface defect is a limiting factor of the charge dynamics and stability of perovskite solar cells (PSCs). Herein, a rare earth metal oxide cerium oxide is introduced into the interface between perovskite and spiro‐OMeTAD [2,2,7,7‐tetrakis (N,N ‐di‐p‐methoxyphenyl‐amine) 9,9‐spirobifluorene] to passivate interfacial defects. Due to the nearest‐neighbor interaction of CeO2 with spiro‐OMeTAD, it can accelerate the oxidization process of spiro‐OMeTAD to form a donor–acceptor complex at this interface, which can overcome the interface barrier for the high hole collecting ability. The bonding formation between lead and oxygen makes this heterojunction show metal conduction behavior at this interface. The insertion of CeO2 between perovskite and spiro‐OMeTAD, can improve hole transferring to balance the extraction of electron and hole by their respective electrodes, for the decreased device hysteresis with the higher efficiency and improved stability. The results show that the CeO2‐based PSC device achieve a power conversion efficiency (PCE) of over 24%, retaining more than 87% of the initial PCE after 2570 h of storage at 20 ≈ 30% humidity.
High‐Voltage Quasi‐Solid‐State Dye‐Sensitized Solar Cells Based on Copper Redox Shuttles
Authors: Lin Jianfei , Wang Yinglin , Li Yanan , Shi Yuming , Guo Xin , Wang Lingling , Liu Yichun , Zhang Xintong
Published: August 2023

Electrolyte with copper redox shuttles has endowed dye‐sensitized solar cells (DSSCs) with a high open‐circuit voltage (V
oc) over 1.0 V and promising efficiencies under the sun and indoor light, but further combining these copper redox shuttles with quasi‐solid‐state gel polymer electrolytes (GPEs) is still a great challenge. The crystallization of polymers inside GPEs is one of the important factors to limit the mass transport of large‐sized copper redox shuttles and dramatically reduce the efficiency of quasi‐solid‐state DSSCs. Herein, the copper‐based GPEs are fabricated via in situ UV‐induced copolymerization of acrylic monomers. This chemical cross‐linking strategy can significantly reduce the crystallinity of polymers inside the GPEs and thus improve the apparent diffusion coefficient two times compared with the generally used poly(ethylene oxide) GPEs. Finally, optimized GPEs, copolymerized by diacrylic and triacrylic monomers, successfully generate the quasi‐solid‐state DSSCs with an efficiency of 10.1% and a high V
oc of 1.03 V. These photovoltaic parameters are comparable to those of DSSCs with liquid copper‐based electrolytes, demonstrating that the chemical cross‐linking is an effective strategy to fabricate high‐performance copper‐based GPEs. This strategy will facilitate the future efficiency and stability improvement of DSSCs for the commercial optoelectronic applications.
Green Method to Prepare Pure δ‐FAPbI3 Crystals for Fabrication of Highly Efficient Perovskite Solar Cells
Authors: Mandal Tarak Nath , Heo Jin Hyuck , Im Sang Hyuk , Kim Woo-Sik
Published: August 2023

The production of pure formamidinium lead iodide (FAPbI3) is crucial to ensure high‐efficiency perovskite solar cells and such pure FAPbI3 is obtainable from crystallization process because impurities from the reagents are removable by molecular recognition effect. In addition, it is important to develop a green crystallization process for the production of FAPbI3 single crystals. Via broad screening of chemicals, here, triethylphosphate and acetonitrile are selected as nontoxic solvent and antisolvent, respectively, for the liquid–liquid reaction of FAI and PbI2 and the antisolvent crystallization. The new green crystallization process produces pure δ‐FAPbI3 single crystals, which are applicable to fabricate α‐FAPbI3 perovskite solar cells. Due to the reduced trap states in the δ‐FAPbI3 single crystals, the corresponding α‐FAPbI3 perovskite solar cells have 22.61% efficiency (average = 20.65 ± 0.86% across 50 devices) and show good operational stability under continuous 1 sun illumination at 50 °C for 1000 h.
Preliminary evaluation of the impact of periodontal treatment on markers of glycaemic control in dogs with diabetes mellitus: A prospective, clinical case series
Authors: Nivy Ran , Bar‐Am Yoav , Retzkin Hanny , Bruchim Yaron , Mazaki‐Tovi Michal
Published: August 2023

Background

Periodontal disease (PD) can adversely affect glycaemic control in humans. However, it is unknown if a similar association exists in dogs.

Methods

Ten client‐owned dogs with poorly regulated diabetes mellitus (DM) and PD were prospectively enrolled. A complete blood count, serum biochemistry, urinalysis and measurement of C‐reactive protein, interleukin‐6 (IL‐6), tumour necrosis factor‐α, haemoglobin A1c (HbA1c) and fructosamine concentrations were performed before periodontal treatment (PT) and monthly thereafter for 3 months. A periodontal disease severity score (PDSS) was determined during PT. The effects of time post‐PT and PDSS on markers of inflammation and glycaemic control were determined by generalised estimating equation analysis.

Results

HbA1c (mean; 95% confidence interval [CI]) decreased 3 months post‐PT (32.1 mmol/mol; 21.1–43.1 mmol/mol vs. 44.3 mmol/mol; 36.4–52.0; p = 0.003). PDSS at enrolment was significantly (p = 0.031) positively associated with HbA1c concentration. Due to a significant (p < 0.001) interaction between PDSS and time post‐PT in the analysis of fructosamine, dogs with low (1–3) PDSS and high (7–9) PDSS were analysed separately. Fructosamine (mean; 95% CI) significantly decreased 1 month post‐PT (570 μmol/L; 457–684 μmol/L vs. 624 μmol/L; 499–748; p = 0.001) in the high PDSS group but not in the low PDSS group. Fructosamine concentration upon enrolment and PDSS were correlated (r = 0.73, p = 0.017). IL‐6 concentration significantly decreased 3 months post‐PT (9.9 pg/mL; 8.5–11.3 pg/mL vs. 11.2 pg/mL; 9.7–12.7; p = 0.002).

Limitations

Limitations of the study included the small number of dogs, the lack of a control group and the inability to assess PDSS during follow‐ups.

Conclusions

These findings support a potential detrimental interaction between PD and DM. The apparent beneficial effect of PT on markers of glycaemic control was most conspicuous in dogs with more severe PD.
A review on triclosan in wastewater: Mechanism of action, resistance phenomenon, environmental risks, and sustainable removal techniques
Authors: Jabłońska‐Trypuć Agata
Published: August 2023

Triclosan, belonging to the bisphenols, is a known antiseptic broad‐spectrum biocide. It has a very wide range of applications, both in health care and in the household. Triclosan enters the environment, both water bodies and soil, because of its high prevalence and the ability to accumulation. Excessive use of antimicrobial formulations may cause the generation of resistance among microorganisms. Reduced susceptibility to triclosan is observed more frequently and in an expanded group of microorganisms and is conditioned by a number of different mechanisms occurring on the molecular level. Conventional wastewater treatment processes are not always able to provide a reliable barrier to triclosan. Therefore, additional advanced treatment technologies are being considered in areas, where a triclosan contamination problem has been identified. Removal of triclosan from wastewater is carried out using different biological and chemical techniques; however, it should be pointed out that physico‐chemical methods often generate toxic by‐products. Toxicity of triclosan and its degradation products, bacterial resistance to this compound, and evident problems with triclosan elimination from wastewater are currently the main problems faced by companies creating products containing triclosan.

Practitioner Points

Triclosan is an emerging pollutant in the environment because of its ability to accumulation and high prevalence.

Reduced susceptibility to triclosan is being observed more frequently.

Conventional wastewater treatment processes are not always able to provide a reliable barrier to triclosan.

Additional advanced treatment technologies should be implemented to remove triclosan from wastewater.
Sememe-Based Lexical Knowledge Representation Learning
Authors: Qin Yujia , Liu Zhiyuan , Lin Yankai , Sun Maosong
Published: August 2023

Linguistic and commonsense knowledge bases describe knowledge in formal and structural languages. Such knowledge can be easily leveraged in modern natural language processing systems. In this chapter, we introduce one typical kind of linguistic knowledge (sememe knowledge) and a sememe knowledge base named HowNet. In linguistics, sememes are defined as the minimum indivisible units of meaning. We first briefly introduce the basic concepts of sememe and HowNet. Next, we introduce how to model the sememe knowledge using neural networks. Taking a step further, we introduce sememe-guided knowledge applications, including incorporating sememe knowledge into compositionality modeling, language modeling, and recurrent neural networks. Finally, we discuss sememe knowledge acquisition for automatically constructing sememe knowledge bases and representative real-world applications of HowNet.
Ten Key Problems of Pre-trained Models: An Outlook of Representation Learning
Authors: Ding Ning , Chen Weize , Zhang Zhengyan , Hu Shengding , Cui Ganqu , Yao Yuan , Qin Yujia , Zeng Zheni , Han Xu , Liu Zhiyuan , Lin Yankai , Sun Maosong
Published: August 2023

The aforementioned representation learning methods have shown their effectiveness in various NLP scenarios and tasks. Large-scale pre-trained language models (i.e., big models) are the state of the art of representation learning for NLP and beyond. With the rapid growth of data scale and the development of computation devices, big models bring us to a new era of AI and NLP. Standing on the new giants of big models, there are many new challenges and opportunities for representation learning. In the last chapter, we will provide a 2023 outlook for the future directions of representation learning techniques for NLP by summarizing ten key open problems for pre-trained models.
Word Representation Learning
Authors: Hu Shengding , Liu Zhiyuan , Lin Yankai , Sun Maosong
Published: August 2023

Words are the building blocks of phrases, sentences, and documents. Word representation is thus critical for natural language processing (NLP). In this chapter, we introduce the approaches for word representation learning to show the paradigm shift from symbolic representation to distributed representation. We also describe the valuable efforts in making word representations more informative and interpretable. Finally, we present applications of word representation learning to NLP and interdisciplinary fields, including psychology, social sciences, history, and linguistics.
Pre-trained Models for Representation Learning
Authors: Lin Yankai , Ding Ning , Liu Zhiyuan , Sun Maosong
Published: August 2023

Pre-training-fine-tuning has recently become a new paradigm in natural language processing, learning better representations of words, sentences, and documents in a self-supervised manner. Pre-trained models not only unify semantic representations of multiple tasks, multiple languages, and multiple modalities but also emerge high-level capabilities approaching human beings. In this chapter, we introduce pre-trained models for representation learning, from pre-training tasks to adaptation approaches for specific tasks. After that, we discuss several advanced topics toward better pre-trained representations, including better model architecture, multilingual, multi-task, efficient representations, and chain-of-thought reasoning.
Graph Representation Learning
Authors: Yang Cheng , Lin Yankai , Liu Zhiyuan , Sun Maosong
Published: August 2023

Graph structure, which can represent objects and their relationships, is ubiquitous in big data including natural languages. Besides original text as a sequence of word tokens, massive additional information in NLP is in the graph structure, such as syntactic relations between words in a sentence, hyperlink relations between documents, and semantic relations between entities. Hence, it is critical for NLP to encode these graph data with graph representation learning. Graph representation learning, also known as network embedding, has been extensively studied in AI and data mining. In this chapter, we introduce a variety of graph representation learning methods that embed graph data into vectors with shallow or deep neural models. After that, we introduce how graph representation learning helps NLP tasks.
Bond–Slip Model of Corroded Strand Considering Rotation Effect
Authors: Wang Lei
Published: August 2023

Corrosion leads to the cracking of concrete cover and degrades the bond strength of strand. This chapter theoretically analyzed the bond strength model of corroded strands by considering the rotation characteristics. First, an analytical model is developed to predict the bond strength of uncorroded strands by considering strand rotation. Then, the effect of corrosion-induced concrete cracking on the ultimate bond strength of corroded strand is analyzed theoretically. Finally, the theoretical model of bond strength of corroded strands is obtained.
Prestress Loss and Transfer Length Prediction in Pretensioned Concrete Structures with Corrosive Cracking
Authors: Wang Lei
Published: August 2023

Concrete cracking caused by strand corrosion reduces bond strength and leads to loss of prestress and changes in transfer length. In this chapter, a model, considering the coupled effects of concrete cracking and bond degradation, is proposed to predict the corrosion-induced prestress loss in prestressed concrete structures at first. Then, an analytical model, considering the coupled effects of the Hoyer effect and corrosion-induced cracking, is proposed to predict the transfer length. The effects of strand corrosion on the effective prestress and transfer length are studied.
Secondary Anchorage and Prestress Loss of Fractured Strand in PT Beams
Authors: Wang Lei
Published: August 2023

The effect of corrosion-induced strand fracture on residual prestress of post-tensioned concrete beams should be investigated fully to ensure the structural safety. An experimental test with five specimens is designed to investigate the secondary anchorage and residual prestressing force in locally corroded post-tensioned concrete beams after strand fracture. Then, an analytical method is proposed to determine the damage control section of locally corroded post-tensioned concrete beams after strand fracture for the flexural capacity evaluation. Following this, a numerical model is established to predict the secondary transfer length and residual prestress of fractured strand in post-tensioned concrete beams.
3d 𝒩 = 2 theories and plumbing graphs: adding matter, gauging, and new dualities
Authors: Cheng Shi , Sułkowski Piotr
Published: August 2023

Abstract

Recently, a large class of 3d 𝒩 = 2 gauge theories with mixed Chern-Simons levels, corresponding to plumbing 3-manifolds, has been identified. In this paper we generalize these theories by including in their content chiral multiples, and analyze their properties. We find that the content of such theories can be encoded in graphs, which generalize plumbing graphs, and various operations in these theories can be represented in terms of transformations of such graphs. The operations in question include gauging global symmetries, integrating out gauge nodes, which for theories without chiral multiplets corresponds to Kirby moves, and ST-transformations that involve chiral multiplets. The dualities such as mirror triality and SQED-XYZ duality can be also represented in terms of graphs, and enable us to find many new dual theories by gauging global symmetries. In particular, we find that gauged SQED-XYZ duality leads to other dualities, which take the same form as operations of linking and unlinking discussed in the context of knots-quivers correspondence. We also find that the superpotential can be encoded in an interesting class of triangle graphs that satisfy certain consistency conditions, we discuss decoupling and Higgsing of chiral multiplets, as well as interpretation of various phenomena in terms of brane webs.
Weak-strong duality of the non-commutative Landau problem induced by a two-vortex permutation, and conformal bridge transformation
Authors: Alcala Andrey , Plyushchay Mikhail S.
Published: August 2023

Abstract

A correspondence is established between the dynamics of the two-vortex system and the non-commutative Landau problem (NCLP) in its sub- (non-chiral), super- (chiral) and critical phases. As a result, a trivial permutation symmetry of the point vortices induces a weak-strong coupling duality in the NCLP. We show that quantum two-vortex systems with non-zero total vorticity can be generated by applying conformal bridge transformation to a two-dimensional quantum free particle or to a quantum vortex-antivortex system of zero total vorticity. The sub- and super-critical phases of the quantum NCLP are generated in a similar way from the 2D quantum free particle in a commutative or non-commutative plane. The composition of the inverse and direct transformations of the conformal bridge also makes it possible to link the non-chiral and chiral phases in each of these two systems.
Holographic CFT phase transitions and criticality for rotating AdS black holes
Authors: Ahmed Moaathe Belhaj , Cong Wan , Kubizňák David , Mann Robert B. , Visser Manus R.
Published: August 2023

Abstract

Employing the novel exact dictionary between the laws of extended black hole thermodynamics and the laws of the dual CFT, we study the extended thermodynamics for CFT states that are dual to neutral singly-spinning asymptotically AdS black holes in d bulk spacetime dimensions. On the field theory side we include two independent pairs of thermodynamic conjugate variables: the central charge-chemical potential term and the pressure-volume term. In this setting we uncover various phase transitions and critical behaviour in the CFT, focusing on three different thermodynamic ensembles. Namely, for fixed angular momentum and central charge, we show there is a Van der Waals-like criticality for d = 4, 5 and reentrant phase transitions for d ≥ 6. At fixed angular velocity and central charge, there is a first-order (de)confinement phase transition in all dimensions d ≥ 3. Finally, at fixed angular momentum and chemical potential we find a plethora of zero-order phase transitions and unstable phases in both d = 4 and d = 6.
Phases of surface defects in Scalar Field Theories
Authors: Raviv-Moshe Avia , Zhong Siwei
Published: August 2023

Abstract

We study mass-type surface defects in a free scalar and Wilson-Fisher (WF) O(N) theories. We obtain exact results for the free scalar defect, including its RG flow and defect Weyl anomaly. We classify phases of such defects at the WF fixed point near four dimensions, whose perturbative RG flow is investigated. We propose an IR effective action for the non-perturbative regime and check its self-consistency.
Cuproptosis-related gene SLC31A1 expression correlates with the prognosis and tumor immune microenvironment in glioma
Authors: Wang Jun , Li Shenglun , Guo Yuduo , Zhao Chao , Chen Yujia , Ning Weihai , Yang Jingjing , Zhang Hongwei
Published: August 2023

Cuproptosis is a newly discovered form of cell death. It is regulated by a string of genes. The genes are identified to influence the tumor progression, but in glioma, the cuproptosis-related genes are little studied. The Cancer Genome Atlas (TCGA) and the Genotype-Tissue Expression (GTEx) were used to screen for SLC31A1 gene expression in glioma and healthy tissue samples. The results were validated using the Gene Expression Omnibus (GEO) and quantitative real-time polymerase chain reaction (qPCR). The Human Protein Atlas (HPA) and the National Cancer Institute’s Clinical Proteomic Tumor Analysis Consortium (CPTAC) were used to validate our results at the protein level. Multivariable analysis and Kaplan–Meier survival curves were used to examine the relationship among SLC31A1 gene expression, clinical parameters, and survival rates. The online Search Tool for the Retrieval of Interacting Genes/Proteins (STRING) was used to find the genes and proteins that correlate to SLC31A1. The immune infiltration analysis was performed using the Tumor Immune Estimation Resource (TIMER) databases. Small interfering RNA was used to knock down the SLC31A1 expression, and the cell proliferation, apoptosis, and migration were analyzed using cell counting kit-8, flow cytometry, and transwell. The glioma patients have higher SLC31A1 expression levels, which increase as the World Health Organization (WHO) grade escalates. The survival analysis illustrates that the SLC31A1 gene expression negatively correlates with overall survival (OS), progression-free survival (PFS), and disease-specific survival (DSS). The immune infiltration analysis shows the SLC31A1 gene positively correlates with T helper 2 (Th2) cells, macrophages, and M2-type macrophages and negatively correlates with plasmacytoid dendritic cells (pDCs), natural killer (NK) CD56bright cells, and CD8 T cells. The in vitro KD experiment shows the SLC31A1 knockdown depressed the glioma cell proliferation and migration and promoted the apoptosis rate. The SLC31A1 gene expression can shorten the survival time of glioma patients. In vitro study shows that SLC31A1 can promote cell proliferation, and migration, and depress the cell apoptosis of glioma cells. It also can promote the formation of a tumor-suppressive microenvironment.