bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Engineered Probiotic Platform for Cancer Epitope‐Independent Targeted Radionuclide Therapy of Solid Tumors
Authors: Siddiqui Nabil A. , Ventrola Alec J. , Hartman Alexandra R. , Konare Tohonne , Kamble Nitin S. , Thomas Shindu C. , Madaan Tushar , Kharofa Jordan , Sertorio Mathieu G. , Kotagiri Nalinikanth 
Published: March 2023

AbstractTargeted radionuclide therapy (TRT) is an emerging therapeutic modality for the treatment of various solid cancers. Current approaches rely on the presence of cancer‐specific epitopes and receptors against which a radiolabeled ligand is systemically administered to specifically deliver cytotoxic doses of α and β particles to tumors. In this proof‐of‐concept study, tumor‐colonizing Escherichia coli Nissle 1917 (EcN) is utilized to deliver a bacteria‐specific radiopharmaceutical to solid tumors in a cancer‐epitope independent manner. In this microbe‐based pretargeted approach, the siderophore‐mediated metal uptake pathway is leveraged to selectively concentrate copper radioisotopes, 64Cu and 67Cu, complexed to yersiniabactin (YbT) in the genetically modified bacteria. 64Cu‐YbT facilitates positron emission tomography (PET) imaging of the intratumoral bacteria, whereas 67Cu‐YbT delivers a cytotoxic dose to the surrounding cancer cells. PET imaging with 64Cu‐YbT reveals persistence and sustained growth of the bioengineered microbes in the tumor microenvironment. Survival studies with 67Cu‐YbT reveals significant attenuation of tumor growth and extends survival of both MC38 and 4T1 tumor‐bearing mice harboring the microbes. Tumor response to this pretargeted approach correlates with promising anti‐tumor immunity, with noticeable CD8+ T:Treg cell ratio. Their strategy offers a pathway to target and ablate multiple solid tumors independent of their epitope and receptor phenotype.
Coacervation‐Mediated Cytocompatible Formation of Supramolecular Hydrogels with Self‐Evolving Macropores for 3D Multicellular Spheroid Culture
Authors: Yang Xuefeng , Yang Boguang , Deng Yingrui , Xie Xian , Qi Yanwei , Yan Guoqing , Peng Xin , Zhao Pengchao , Bian Liming 
Published: March 2023

AbstractCoacervation driven liquid–liquid phase separation of biopolymers has aroused considerable attention for diverse applications, especially for the construction of microstructured polymeric materials. Herein, a coacervate‐to‐hydrogel transition strategy is developed to create macroporous hydrogels (MPH), which are formed via the coacervation process of supramolecular assemblies (SA) built by the host–guest complexation between γ‐cyclodextrin and anthracene dimer. The weak and reversible supramolecular crosslinks endow the SA with liquid‐like rheological properties, which facilitate the formation of SA‐derived macroporous coacervates and the subsequent transition to MPH (pore size ≈ 100 µm). The excellent structural dynamics (derived from SA) and the cytocompatible void‐forming process of MPH can better accommodate the dramatic volumetric expansion associated with colony growth of encapsulated multicellular spheroids compared with the non‐porous static hydrogel with similar initial mechanical properties. The findings of this work not only provide valuable guidance to the design of biomaterials with self‐evolving structures but also present a promising strategy for 3D multicellular spheroid culture and other diverse biomedical applications.
δ‐Phase Management of FAPbBr3 for Semitransparent Solar Cells
Authors: Zhu Helong , Wu Wenping , Wu Yanjie , Zhang Dezhong , Zhan Hongmei , Cheng Yanxiang , Wang Lixiang , Qin Chuanjiang 
Published: March 2023

AbstractFormamidinium lead bromide (FAPbBr3) perovskite owing to suitable wide band gap has promising application in the fields of semitransparent and tandem solar cells. However, the effect of photoinactive δ phase (δ‐FAPbBr3) on the film and device properties is still unclear and rarely investigated. In this work, the authors find that the growth of δ‐FAPbBr3 has a strong relationship with the property of the underlayer. On the hydrophilic underlayer, crystalline δ‐FAPbBr3 is uniformly distributed in the bulk of the α‐FAPbBr3 film, which has a lower defect density and better carrier transport. A power conversion efficiency of 9.12% is achieved by the management of δ‐FAPbBr3 and using a phosphonate/phosphine oxide dyad additive, which is the highest value among the inverted FAPbBr3‐based perovskite solar cells (PSCs). Moreover, the light utilization efficiency of a semitransparent device reaches 3.15%. This work provides new insights and methods for the realization of high‐performance FAPbBr3‐based PSCs.
Continuum Modeling with Functional Lennard–Jones Parameters for DNA‐Graphene Interactions
Authors: Stevens Kyle , Thamwattana Ngamta , Tran‐Duc Thien 
Published: March 2023

AbstractCarbon nanostructures are of particular interest as platforms for molecular storage and adsorption. In this paper, the adsorption of a single stranded DNA molecule onto a graphene sheet is considered. Even though DNA molecules are complicated heterogeneous structures comprising several types of atoms, it is found that the repeated patterns within the DNA molecules enable the use of a continuum approach to model the DNA‐graphene sheet interaction. Here, a model is proposed such that the heterogeneity across the DNA molecule is captured by interaction functions, which are used to replace the attractive and repulsive constants in the Lennard‐Jones potential. Result from this new model shows better agreement to molecular dynamics simulations compared to the traditional continuum approach where atoms on the DNA are averaged evenly across the molecule. Finally, the paper comments on the model, its parameters, and suggests ways for improvement.
Synthesis of Triazolo[c]coumarins and Differences in the Fluorescence Properties of Their Isomers
Authors: Sekine Miyu , Ishida Hiroaki , Itoh Toshimasa 
Published: March 2023

AbstractDespite the simple structures of 3,4‐fused tricyclo coumarins, their fluorescence properties have not been studied extensively. We have synthesized triazolo[c]coumarins using Huisgen cycloaddition and investigated their fluorescence properties. The Huisgen cycloaddition was found to proceed in excellent yields when subjected to heating under solvent‐free conditions. As is generally known, fluorescence is enhanced with an increase in the electron‐donating group at the 7‐position. The 7‐NEt2‐triazolo[c]coumarin derivatives showed useful fluorescence, and their relative fluorescence quantum yields in aprotic polar organic solvents were high. It revealed that fluorescence properties of triazolo[c]coumarins depended on the regio isomer. The electron distribution was hardly extended to alkyl side chain on triazole from the molecular orbital calculation by density functional theory (DFT) and time‐dependent DFT (TD‐DFT). This result suggests that the trend of fluorescence properties is similar to the present result even when various substituents are introduced on triazole.
Perfect Narrow‐Band Absorber of Monolayer Borophene in All‐Dielectric Grating Based on Quasi‐Bound State in the Continuum
Authors: Liu Jinzhe , Liu Youwen 
Published: March 2023

AbstractBorophene has the unique optical properties of two‐dimensional materials and its own anisotropic characteristics. This work proposes a perfect narrow‐band absorption structure to enhance the interaction of light with the monolayer borophene inserted into two different dielectric gratings. The structure efficiently improves absorption efficiency based on the quasi‐bound states in the continuum (Q‐BIC). The absorption characteristics are numerically simulated and theoretically analyzed by using the rigorous coupled‐wave analysis (RCWA) method and the finite element method (FEM). The absorption efficiency of the monolayer borophene is high, up to 99.18% with a full‐width at half maximum (FWHW) of 0.62 nm, achieving nearly perfect narrow‐band absorption. Moreover, the mechanism of enhanced absorption of monolayer borophene is verified by the coupled mode theory (CMT), which indicates that the nearly perfect absorption is also derived from the critical coupling. At the same time, the influence of the thickness and width of the two layer dielectric structure on the absorption efficiency is theoretically analyzed. Furthermore, due to the anisotropic optical properties of the structure for TE and TM polarized light, a narrow‐band polarization plate or sensor can be realized. The structure designed provides a new possibility to enhance the interaction between monolayer borophene and light.
Tuning the Microenvironment in Monolayer MgAl Layered Double Hydroxide for CO2‐to‐Ethylene Electrocatalysis in Neutral Media
Authors: Xu Yi Ning , Li Wenjing , Fu Huai Qin , Zhang Xin Yu , Zhao Jia Yue , Wu Xuefeng , Yuan Hai Yang , Zhu Minghui , Dai Sheng , Liu Peng Fei , Yang Hua Gui 
Published: March 2023

AbstractThe electrocatalytic reduction of carbon dioxide provides a feasibility to achieve a carbon‐neutral energy cycle. However, there are a number of bottleneck issues to be resolved before industrial application, such as the low conversion efficiency, selectivity and reaction rate, etc. Engineering local environment is a critical way to address these challenges. Here, a monolayer MgAl‐LDH was proposed to optimize the local environment of Cu for stimulating industrial‐current‐density CO2‐to‐C2H4 electroreduction in neutral media. In situ spectroscopic results and theoretical study demonstrated that the Cu electrode modified by MgAl‐LDH (MgAl‐LDH/Cu) displayed a much higher surface pH value compared to the bare Cu, which could be attributed to the decreased energy barrier for hydrolysis on MgAl‐LDH sites with more OH− ions on the surface of the electrode. As a result, MgAl‐LDH/Cu achieved a C2H4 Faradaic efficiency of 55.1 % at a current density up to 300 mA cm−2 in 1.0 M KHCO3 electrolyte.
Ruthenium/TiO2‐Catalyzed Hydrogenolysis of Polyethylene Terephthalate: Reaction Pathways Dominated by Coordination Environment
Authors: Ye Mingxing , Li Yurou , Yang Zhirong , Yao Chang , Sun Weixiao , Zhang Xiangxue , Chen Wenyao , Qian Gang , Duan Xuezhi , Cao Yueqiang , Li Lina , Zhou Xinggui , Zhang Jing 
Published: March 2023

AbstractPolyethylene terephthalate (PET) hydrogenolysis can produce benzene, toluene, and xylene (BTX), where the selectivity control is challenging. We report a reaction pathway dictated by the Ru coordination environment by examining the binding geometries of adsorbates on differently coordinated Ru centers and their evolution during PET hydrogenolysis. A BTX yield of 77 % was obtained using a Ru/TiO2 with a Ru coordination number of ca. 5.0 where edge/corner sites are dominant, while more gas and saturated products were formed for Ru/TiO2 containing primarily terrace sites. Density functional theory and isotopic labelling revealed that under‐coordinated Ru edge sites favor “upright” adsorption of aromatic adsorbates while well‐coordinated Ru sites favor “flat‐lying” adsorption, where the former mitigates ring hydrogenation and opening. This study demonstrates that reaction pathways can be directed through controlled reactant/intermediate binding via tuning of the Ru coordination environment for efficient conversion of PET to BTX.
NIR Light‐Mediated Mitochondrial RNA Modification for Cancer RNA Interference Therapeutics
Authors: Feng Yali , Fang Jing , Zhao Yan , Ye Shuyue , Wang Anna , Zhang Yuqi , Zhu Jinfeng , Li Jiachen , Lv Zhengzhong , Zhao Zhongsheng , Shi Haibin 
Published: March 2023

AbstractMitochondrial RNA (mtRNA) plays a critical role in synthesis of mitochondrial proteins. Interfering mtRNA is a highly effective way to induce cell apoptosis. Herein, we report a near‐infrared (NIR) light‐mediated mitochondrial RNA modification approach for long‐term imaging and effective suppression of tumors. A tumor‐targetable NIR fluorescent probe f‐CRI consisting of a cyclic RGD peptide, a NIR fluorophore IR780, and a singlet oxygen (1O2)‐labile furan group for RNA modification was rationally designed and synthesized. This probe was demonstrated to dominantly accumulate in cellular mitochondria and could be covalently conjugated onto mtRNA upon 808 nm irradiation resulting in prolonged retention in tumors. More notably, this covalent modification of mtRNA by f‐CRI could perturb the function of mitochondria leading to remarkable tumor suppression. We thus envision that our current approach would offer a potential approach for cancer RNA interference therapeutics.
Construction of Acyclic All‐Carbon Quaternary Stereocenters and 1,3‐Nonadjacent Stereoelements via Organo/Metal Dual Catalyzed Asymmetric Allenylic Substitution of Aldehydes
Authors: Dai Jun , Li Long , Ye Ronghua , Wang Shan , Wang Yingcheng , Peng Fangzhi , Shao Zhihui 
Published: March 2023

AbstractA method for the asymmetric construction of functionalized acyclic all‐carbon quaternary stereocenters and 1,3‐nonadjacent stereoelements has been developed via organo/metal dual catalyzed asymmetric allenylic substitution of branched and linear aldehydes, by developing an unknown acyclic secondary‐secondary diamine as the enabling organocatalyst. Although it is believed that secondary‐secondary diamines are difficult to be used as the organocatalysts in organo/metal dual catalysis, this study demonstrates that such diamines can be successfully combined with a metal catalyst in organo/metal dual catalysis. Our study enables the asymmetric construction of two important classes of motifs which were previously difficult to access, axially chiral allene‐containing acyclic all‐carbon quaternary stereocenters and 1,3‐nonadjacent stereoelements bearing allenyl axial chirality and central chirality, in good yields with high enantio‐ and diastereoselectivity.
Recent Development of SnII, SbIII‐based Birefringent Material: Crystal Chemistry and Investigation of Birefringence
Authors: Han Shujuan , Tudi Abudukadi , Zhang Wenbin , Hou Xueling , Yang Zhihua , Pan Shilie 
Published: March 2023

AbstractThe combination of SnII or SbIII with π, non‐π‐conjugated units has produced birefringent crystals with birefringence ranging from 0.005 to 0.468@1064 nm. It is proven that introducing SnII or SbIII into crystals is a feasible strategy to enlarge the birefringence, which not only promotes the miniaturization of fabricated devices, but also effectively modulates polarized light. Herein, recently discovered SnII, SbIII‐based birefringent crystals with birefringence investigated are summarized, including their crystal structure and optical properties, especially birefringence. This review also presents the influence of SnII, SbIII with stereochemically active lone pair on the optical anisotropy. We hope that this work provides a clear perspective on the crystal chemistry of SnII, SbIII‐based optical functional crystals and promotes the development of new birefringent crystals with large optical anisotropy.
A Composite Serum Biomarker Index for the Diagnosis of Systemic Sclerosis–Associated Interstitial Lung Disease: A Multicenter, Observational Cohort Study
Authors: Jee Adelle S. , Stewart Iain , Youssef Peter , Adelstein Stephen , Lai Donna , Hua Sheng , Stevens Wendy , Proudman Susanna , Ngian Gene‐Siew , Glaspole Ian N. , Moodley Yuben P. , Bleasel Jane F. , Macansh Sacha , Nikpour Mandana , Sahhar Joanne , Corte Tamera J. ,   the Australian Scleroderma Cohort Study, Australian Scleroderma Interest Group, Australian Idiopathic Pulmonary Fibrosis Registry, and associated investigators
Published: March 2023

ObjectiveIn patients with systemic sclerosis (SSc), we investigated composite serum biomarker panels for the diagnosis and risk stratification of SSc–associated interstitial lung disease (SSc‐ILD).MethodsWe analyzed 28 biomarkers in 640 participants: 259 patients with SSc‐ILD and 179 SSc patients without ILD (Australian Scleroderma Cohort Study), 172 patients with idiopathic pulmonary fibrosis (IPF‐controls) (Australian IPF Registry), and 30 healthy controls. A composite index was developed from biomarkers associated with ILD in multivariable analysis derived at empirical thresholds. We evaluated the performance of the index to identify ILD, and specifically SSc‐ILD, and its association with lung function, disease extent on radiography, and patient health–related quality of life in derivation and validation cohorts. Biomarkers to distinguish SSc‐ILD from IPF‐controls were identified.ResultsA composite biomarker index, comprising surfactant protein D (SP‐D), Ca15‐3, and intercellular adhesion molecule 1 (ICAM‐1), was strongly associated with SSc‐ILD diagnosis, independent of age, sex, smoking history, and lung function (for biomarker index score 3, pooled adjusted odds ratio was 12.72 (95% confidence interval 4.59–35.21) (P < 0.001). The composite index strengthened the performance of individual biomarkers for SSc‐ILD identification. In SSc patients, a higher index was associated with worse baseline disease severity (for biomarker index score 3 relative to biomarker index score 0, the adjusted absolute change in forced vital capacity percent predicted was −17.84% and the diffusing capacity for carbon monoxide percent predicted was −20.16%; both P < 0.001).ConclusionA composite serum biomarker index, comprising SP‐D, Ca15‐3, and ICAM‐1, may improve the identification and risk stratification of ILD in SSc patients at baseline.
Real‐world treatment and outcomes of patients with metastatic BRAF mutant colorectal cancer
Authors: Xu Ting , Li Jian , Wang Zhenghang , Zhang Xiaotian , Zhou Jun , Lu Zhihao , Shen Lin , Wang Xicheng 
Published: March 2023

AbstractBackgroundBRAF mutation occurs in 5%–10% of metastatic colorectal cancers (mCRCs). Patients with BRAF mutant mCRC exhibit a specific metastatic pattern and poor prognosis. Survival outcomes are heterogeneous in cases of mCRC with a BRAF mutation. The optimal first‐line therapy is still controversial.MethodsWe retrospectively reviewed the medical records of patients with mCRC between June 2010 and December 2021. Clinicopathologic characteristics, treatment and BRAF mutation testing results were collected. Patients with a BRAF mutation were included. Kaplan–Meier methods and log‐rank tests were used to analyze and compare survival. Cox proportional hazards regression was used to establish the predictive nomogram model.ResultsOf the 4475 mCRC, 261 have a BRAF mutation, including 240 V600E and 21 non‐V600E mutants. The median overall survival (OS) was 18.2 months in the BRAF V600E mutant group versus 38.0 months in the non‐V600E mutant group (p = 0.022). ECOG score, tumor differentiation, liver metastasis, bone metastasis and primary tumor resection were independent prognostic factors for the OS of BRAF V600E mutant mCRC. A nomogram model was established using these factors. The median OS was 39.3 m, 18.2 m and 10.7 m for the low‐risk, intermediate‐risk and high‐risk groups defined by this model, respectively (p < 0.0001). Patients who received first‐line triplet chemotherapy ± bevacizumab had comparable progression free survival (PFS) and OS compared with those treated with doublets ± bevacizumab.ConclusionBRAF V600E mutant mCRCs exhibit unfavorable and heterogeneous prognosis. The first‐line intensive chemotherapy did not confer a marked impact on the PFS and OS.
Effect of Axial Ligand Length on Biological and Anticancer Properties of Axially Disubstituted Silicon Phthalocyanines
Authors: Yenilmez H. Yasemin , Farajzadeh Nazli , Güler Kuşçulu Nilgün , Bahar Dilek , Özdemir Sadin , Tollu Gülşah , Güllü Mithat , Altuntaş Bayır Zehra 
Published: March 2023

AbstractIn this study, three new axially disubstituted silicon phthalocyanines (SiPc1–3) and their quaternized phthalocyanine derivatives (QSiPc1–3) were prepared and characterized. The biological properties (antioxidant, antimicrobial, antibiofilm, and microbial cell viability activities) of the water‐soluble silicon phthalocyanines were examined, as well. A 1 % DMSO diluted with pure water was used as a solvent in biological activity studies. All the compounds exhibited high antioxidant activity. They displayed efficient antimicrobial and antimicrobial photodynamic therapeutic properties against various microorganisms, especially Gram (+) bacteria. Additionally, they demonstrated high antibiofilm activities against S. aureus and P. aeruginosa. In addition, 100 % bacterial reduction was obtained for all the studied phthalocyanines against E. coli viable cells. Besides, the DNA cleavage and binding features of compounds (QSiPc1–3) were studied using pBR322 DNA and CT‐DNA, respectively. Furthermore, the human topoisomerase I enzyme inhibition activities of compounds QSiPc1–3 were studied. Anticancer properties of the water‐soluble compounds were investigated using cell proliferation MTT assay. They exhibited anticarcinogenic activity against the human colon cancer cell line (DLD‐1). Compounds QSiPc1 and QSiPc3 displayed a high anticarcinogenic effect on the DLD‐1 cell line. The obtained results indicated that all the studied compounds may be effective biological agents and anticancer drugs after further investigations.
Design, Synthesis, and Insecticidal Activities of Novel meta‐Diamide Compounds Containing Ethyl Acetate and Their Derivatives
Authors: Wang Jiaxuan , Xiang Juncheng , Wu Minghui , Long Huanyuan , Wu Daoxin , Liu Jiyong 
Published: March 2023

AbstractIn this study, a series of meta‐diamide compounds containing ethyl acetate group and their derivatives were designed and synthesized. Their insecticidal activities against Plutella xylostella, Spodoptera frugiperda and Alfalfa sprouts were evaluated. Preliminary bioassays showed that some of the title compounds exhibited excellent insecticidal activities. Especially compound ethyl N‐(3‐((2‐bromo‐4‐(perfluoropropan‐2‐yl)‐6‐(trifluoromethyl)phenyl)carbamoyl)‐2‐fluorophenyl)‐N‐(4‐cyanobenzoyl)glycinate and ethyl N‐(3‐((2‐bromo‐4‐(perfluoropropan‐2‐yl)‐6‐(trifluoromethyl)phenyl)carbamoyl)‐2‐fluorophenyl)‐N‐(6‐fluoronicotinoyl)glycinate showed 100 % mortality at 0.1 mg/L against Plutella xylostella and Spodoptera frugiperda, same to broflanilide. Their LC50 against Plutella xylostella is 0.286 mg/L and 0.0218 mg/L, respectively. Moreover, compound ethyl N‐(3‐((2‐bromo‐4‐(perfluoropropan‐2‐yl)‐6‐(trifluoromethyl)phenyl)carbamoyl)‐2‐fluorophenyl)‐N‐(6‐fluoronicotinoyl)glycinate displayed faster control efficacy than broflanilide at 0.1 mg/L. The results indicated that meta‐diamide compounds containing ethyl acetate group could be developed as novel and promising insecticides.
Time‐Resolved CIDNP as a Tool for Determination of Rate Constants of Triplet Quenching Using the Example of Photo‐Induced Oxidation of Histidine‐Containing Compounds**
Authors: Morozova Olga B. , Fishman Natalya N. , Yurkovskaya Alexandra V. 
Published: March 2023

AbstractWe describe the application of time‐resolved chemically induced dynamic nuclear polarization (TR CIDNP) in the determination of the bimolecular rate constants of triplet quenching. This method is based on the use of a CIDNP‐active reference triplet quencher with a known quenching rate constant. The quenching reaction of the triplet excited photosensitizer, 3,3′,4,4′‐tetracarboxy benzophenone (TCBP), was considered as the reaction under study. In each experiment, geminate CIDNP spectra were obtained during irradiation of the solution containing: (i) TCBP and a reference quencher; (ii) TCBP, a reference quencher, and a quencher whose triplet quenching rate constant was to be determined. The degree of decrease in the signal intensity of the reference quencher for the case (ii) compared to the case (i) depended on the desired quenching rate constant which made it possible to calculate the latter. Thus, the rate constants were determined for quenching of triplet TCBP by histidine‐containing compounds.