bluuebunny/crossref_metadata_2025_split huggingface dataset:
I2‐Promoted Oxidative Annulation of Deoxybenzoin‐Chalcone Adduct: Temperature‐Controlled Access to Tetrasubstituted 2,3‐trans‐Dihydrofurans and Furans
Authors: Thanh Nhan Vu Thi , Ngoc Trinh Thu , Trang Pham Thu , Tu Ha Minh , Hung Mac Dinh , Retailleau Pascal , Binh Nguyen Thanh 
Published: April 2024

AbstractTetrasubstituted 2,3‐trans‐dihydrofuran and furan are important heterocyclic scaffolds in natural product, bioorganic and medicinal chemistry as well as in material science. The synthesis of both of these heterocycles starting from common and readily available starting materials are challenging. We found that in situ generated deoxybenzoin‐chalcone Michael adducts underwent oxidative annulation upon heating with molecular iodine in DMSO to provide selectively 2,3‐trans‐dihydrofurans at 80 °C and furans at 120 °C.
A Ratiometric Fluorescent Detection Platform Using G‐CDs@[Ru(bpy)3]2+ for the Specific Detection of Hypochlorite and Live Cell Imaging
Authors: Rong Mingcong , He Zheng , Wang Danru , Zeng Jiahao , Liu Qian , Niu Li 
Published: April 2024

AbstractHypochlorite (ClO−), an essential reactive oxygen species (ROS) in physiological processes, is identified to be closely connected with oxidative stress and related diseases. Meanwhile, ClO− is a commonly‐used disinfector for water treatment, and in public places, under acidic conditions, it's easily decomposed into hypertoxic chlorine gas. Since the strong oxidizing property of ClO−, many oxidizing agents may disturb the ClO− detection. Specific and accurate detection of ClO− with superior sensitivity is a challenge. In this work, a sensing platform for rapid, sensitive, and specific ClO− detection is constructed using green fluorescent carbon dots (G‐CDs), with a linear detection range of 0.5–11 µm and a detection limit of 0.233 µm. Moreover, introducing a red fluorescent tripyridinium ruthenium ([Ru(bpy)3]2+) as a reference, a ratiometric fluorescence nanoprobe G‐CDs@[Ru(bpy)3]2+ is prepared and shows favorable intracellular imaging of exogenous and endogenous ClO−. With G‐CDs@[Ru(bpy)3]2+‐based test paper microarrays and a color recognition APP, a smartphone‐based sensing system for point‐of‐care testing of ClO− is also fabricated. In summary, this work proposed a versatile and economical smartphone‐based sensing system that featured reliability and simplicity, and suggested its potential applications in environmental water quality monitoring and live cell imaging.
Facile Generation of Heterotelechelic Poly(2‐Oxazoline)s Towards Accelerated Exploration of Poly(2‐Oxazoline)‐Based Nanomedicine
Authors: Van Guyse Joachim F. R. , Abbasi Saed , Toh Kazuko , Nagorna Zlata , Li Junjie , Dirisala Anjaneyulu , Quader Sabina , Uchida Satoshi , Kataoka Kazunori 
Published: April 2024

AbstractControlling the end‐groups of biocompatible polymers is crucial for enabling polymer‐based therapeutics and nanomedicine. Typically, end‐group diversification is a challenging and time‐consuming endeavor, especially for polymers prepared via ionic polymerization mechanisms with limited functional group tolerance. In this study, we present a facile end‐group diversification approach for poly(2‐oxazoline)s (POx), enabling quick and reliable production of heterotelechelic polymers to facilitate POxylation. The approach relies on the careful tuning of reaction parameters to establish differential reactivity of a pentafluorobenzyl initiator fragment and the living oxazolinium chain‐end, allowing the selective introduction of N‐, S‐, O‐nucleophiles via the termination of the polymerization, and a consecutive nucleophilic para‐fluoro substitution. The value of this approach for the accelerated development of nanomedicine is demonstrated through the synthesis of well‐defined lipid‐polymer conjugates and POx‐polypeptide block‐copolymers, which are well‐suited for drug and gene delivery. Furthermore, we investigated the application of a lipid‐POx conjugate for the formulation and delivery of mRNA‐loaded lipid nanoparticles for immunization against the SARS‐COV‐2 virus, underscoring the value of POx as a biocompatible polymer platform.
Improving flame retardancy in BADGE epoxy via novel phosphorus‐functionalized epoxy integration
Authors: Toan Mai , Kwon Kiok , Shin Seunghan 
Published: April 2024

AbstractA novel epoxy resin, DPHP, was synthesized from diphenolic acid, which contains biobased levulinic acid, with triethylphosphite, to improve the flame retardancy of bisphenol‐A diglycidyl ether (BADGE) epoxy. Curing experiments were conducted using isophorone diamine as a curing agent for BADGE and DPHP mixtures. Variations in cure kinetics, mechanical properties, and flame retardancy were evaluated across different DPHP contents. The introduction of phosphorus functional groups into DPHP affected the polarization of epoxide CO bonds, resulting in reduced apparent activation energy for epoxy curing reactions. However, the higher epoxy equivalent weight of DPHP compared with that of BADGE led to a decrease in the tensile strength and the glass transition temperature of the cured material with increasing DPHP content. A significant increase in char yield for combustion of the epoxy blend was observed, ranging from 8.3% at 0 wt% DPHP to 20.1% at 50 wt% DPHP. Additionally, cone calorimeter measurements showed significant reductions in heat release rate and total heat release, leading to a decrease in fire spread from 1.07 MJm−2 s−1 at 0 wt% DPHP to 0.43 MJm−2 s−1 at 50 wt% DPHP. These results show that the flame retardancy of the cured material improved significantly as the DPHP content increased.
Deinococcus wulumuqiensis R12 synthesized silver nanoparticles with peroxidase‐like activity for synergistic antibacterial application
Authors: Liu Jingjia , Zhang Nan , Shen Bowen , Zhang Liling , Zhang Zhidong , Zhu Liying , Jiang Ling 
Published: April 2024

AbstractThe use of a combination of several antibacterial agents for therapy holds great promise in reducing the dosage and side effects of these agents, improving their efficiency, and inducing potential synergistic therapeutic effects. Herein, this study provides an innovative antibacterial treatment strategy by synergistically combining R12‐AgNPs with H2O2 therapy. R12‐AgNPs were simply produced with the supernatant of an ionizing radiation‐tolerant bacterium Deinococcus wulumuqiensis R12 by one‐step under room temperature. In comparison with chemically synthesized AgNPs, the biosynthesized AgNPs presented fascinating antibacterial activity and peroxidase‐like properties, which endowed it with the capability to catalyze the decomposition of H2O2 to generate hydroxyl radical. After the combination of R12‐AgNPs and H2O2, an excellent synergistic bacteriostatic activity was observed for both Escherichia coli and Staphylococcus aureus, especially at low concentrations. In addition, in vitro cytotoxicity tests showed R12‐AgNPs had good biocompatibility. Thus, this work presents a novel antibacterial agent that exhibits favorable synergistic antibacterial activity and low toxicity, without the use of antibiotics or a complicated synthesis process.
Development of an efficient liposomal DOX delivery formulation for HCC therapy by targeting CK2α
Authors: Zhao Ruixia , Cheng Sinan , Bai Xue , Zhang Danying , Fang Hongming , Che Wanlin , Zhang Wenxuan , Zhou Yujuan , Duan Wei , Liang Qiumin , Xiao Li , Nie Guochao , Hou Yingchun 
Published: April 2024

AbstractHepatocellular carcinoma (HCC) is a digestive tract cancer with high mortality and poor prognosis, especially in China. Current chemotherapeutic drugs lead to poor prognosis, low efficacy, and high side effects due to weak targeting specificity and rapidly formed multidrug resistance (MDR). Based on the previous studies on the doxorubicin (DOX) formulation for cancer targeting therapy, we developed a novel DOX delivery formulation for the targeting chemotherapy of HCC and DOX resistant HCC. HCSP4 was previously screened and casein kinase 2α (CK2α) was predicted as its specific target on HCC cells in our lab. In the study, miR125a‐5p was firstly predicted as an MDR inhibiting miRNA, and then CK2α was validated as the target of HCSP4 and miR125a‐5p using CK2α‐/‐HepG2 cells. Based on the above, an HCC targeting and MDR inhibiting DOX delivery liposomal formulation, HCSP4/Lipo‐DOX/miR125a‐5p was synthesized and tested for its HCC therapeutic efficacy in vitro. The results showed that the liposomal DOX delivery formulation targeted to HCC cells specifically and sensitively, and presented the satisfied therapeutic efficacy for HCC, particularly for DOX resistant HCC. The potential therapeutic mechanism of the DOX delivery formulation was explored, and the formulation inhibited the expression of MDR‐relevant genes including ATP‐binding cassette subfamily B member 1 (ABCB1, also known as P‐glycoprotein), ATP‐binding cassette subfamily C member 5 (ABCC5), enhancer of zeste homolog 2 (EZH2), and ATPase Na+/K+ transporting subunit beta 1 (ATP1B1). Our study presents a novel targeting chemotherapeutic drug formulation for the therapy of HCC, especially for drug resistant HCC, although it is primarily and needs further study in vivo, but provided a new strategy for the development of novel anticancer drugs.
Serum and urine metabolomics based on UPLC–QTOF/MS reveal the effect and potential mechanism of “schisandra–evodia” herb pair in the treatment of Alzheimer's disease
Authors: Pang Chengguo , Wang Ruijiao , Liu Kemeng , Yuan Xu , Ni Jiating , Cao Qingyu , Chen Yuanjin , Dong Pei Liang , Han Hua 
Published: April 2024

AbstractThe “schisandra–evodia” herb pair (S–E) is a herbal preparation to treat Alzheimer's disease (AD). This study aims to investigate the therapeutic efficacy and potential mechanism of S–E in AD rats, utilizing pharmacodynamic assessments and serum‐ and urine‐based metabolomic analyses. Pharmacodynamic assessments included Morris water maze test, hematoxylin–eosin staining and immunohistochemistry experiments. The results of the study showed that the AD model was successful; the S–E significantly enhanced long‐term memory and spatial learning in AD rats. Meanwhile, S–E notably ameliorated Aβ25–35‐induced cognitive impairment, improved hippocampal neuron morphology, decreased Aβ deposition in the hippocampus and mitigated inflammatory damage. We then analyzed serum and urine samples using UPLC–MS/MS to identify potential biomarkers and metabolic pathways. Metabolomic analysis revealed alterations in 40 serum metabolites and 38 urine metabolites following S–E treatment, predominantly affecting pathways related to taurine and hypotaurine metabolism, linoleic acid metabolism, α‐linolenic acid metabolism, glycerophospholipid metabolism and arachidonic acid metabolism. This study elucidates the biochemical mechanism underlying AD and the metabolic pathway influenced by S–E, laying the groundwork for future clinical applications.
Stakeholder pressure and circular supply chain practices: Moderating roles of environmental information exchange capability and circular innovation orientation
Authors: Agyabeng‐Mensah Yaw , Afum Ebenezer , Baah Charles 
Published: April 2024

AbstractThis study deploys institutional theory and Resource orchestration theory (ROT) to examine the roles supply chain stakeholder pressure, circular innovation orientation (CIO) and environmental information exchange capability (EIEC) play in adopting Circular supply chain (CSC) practices. This study uses a partial least square structural equation modelling (PLS‐SEM) to analyse survey data gathered from 290 managers of manufacturing Small and medium enterprises (SMEs) in Ghana. This study finds that pressure from supply chain stakeholders substantially drives manufacturing SMEs' CSC practices. This study confirms that EIEC negatively moderates the relationship between supply chain stakeholder pressure and CSC practices. Finally, this study confirms the complementarity between CIO and EIEC through moderating effects between supply chain stakeholder pressure and CSC practices. This study advances circular supply chain management (CSCM) literature by testing a research framework that examines important but rarely studied roles of CIO and EIEC in SMEs' CSC practices adoption under supply chain stakeholder pressure through institutional and resource orchestration perspectives.
Flow cytometric minimal residual disease measurement accounting for cytogenetics in children with non‐high‐risk acute lymphoblastic leukemia treated according to the ALL‐MB 2008 protocol
Authors: Popov Alexander , Henze Guenter , Tsaur Grigory , Budanov Oleg , Roumiantseva Julia , Belevtsev Mikhail , Verzhbitskaya Tatiana , Movchan Liudmila , Lagoyko Svetlana , Zharikova Liudmila , Olshanskaya Yulia , Riger Tatiana , Valochnik Alena , Miakova Natalia , Litvinov Dmitry , Khlebnikova Olga , Streneva Olga , Stolyarova Elena , Ponomareva Natalia , Novichkova Galina , Aleinikova Olga , Fechina Larisa , Karachunskiy Alexander 
Published: April 2024

AbstractBackgroundQuantitative measurement of minimal residual disease (MRD) is the “gold standard” for estimating the response to therapy in childhood B‐cell precursor acute lymphoblastic leukemia (BCP‐ALL). Nevertheless, the speed of the MRD response differs for different cytogenetic subgroups. Here we present results of MRD measurement in children with BCP‐ALL, in terms of genetic subgroups with relation to clinically defined risk groups.MethodsA total of 485 children with non‐high‐risk BCP‐ALL with available cytogenetic data and MRD studied at the end‐of‐induction (EOI) by multicolor flow cytometry (MFC) were included. All patients were treated with standard‐risk (SR) of intermediate‐risk (ImR) regimens of “ALL‐MB 2008” reduced‐intensity protocol.Results and DiscussionAmong all study group patients, 203 were found to have low‐risk cytogenetics (ETV6::RUNX1 or high hyperdiploidy), while remaining 282 children were classified in intermediate cytogenetic risk group. For the patients with favorable and intermediate risk cytogenetics, the most significant thresholds for MFC‐MRD values were different: 0.03% and 0.04% respectively. Nevertheless, the most meaningful thresholds were different for clinically defined SR and ImR groups. For the SR group, irrespective to presence/absence of favorable genetic lesions, MFC‐MRD threshold of 0.1% was the most clinically valuable, although for ImR group the most informative thresholds were different in patients from low‐(0.03%) and intermediate (0.01%) cytogenetic risk groups.ConclusionOur data show that combining clinical risk factors with MFC‐MRD measurement is the most useful tool for risk group stratification of children with BCP‐ALL in the reduced‐intensity protocols. However, this algorithm can be supplemented with cytogenetic data for part of the ImR group.
Adaptive radiotherapy for head and neck cancer: Pitfalls and possibilities from the radiation oncologist's point of view
Authors: Nuyts Sandra , Bollen Heleen , Eisbruch Avrahram , Strojan Primoz , Mendenhall William M. , Ng Sweet Ping , Ferlito Alfio 
Published: April 2024

AbstractBackgroundPatients with head and neck cancer (HNC) may experience substantial anatomical changes during the course of radiotherapy treatment. The implementation of adaptive radiotherapy (ART) proves effective in managing the consequent impact on the planned dose distribution.MethodsThis narrative literature review comprehensively discusses the diverse strategies of ART in HNC and the documented dosimetric and clinical advantages associated with these approaches, while also addressing the current challenges for integration of ART into clinical practice.Results and ConclusionAlthough based on mainly non‐randomized and retrospective trials, there is accumulating evidence that ART has the potential to reduce toxicity and improve quality of life and tumor control in HNC patients treated with RT. However, several questions remain regarding accurate patient selection, the ideal frequency and timing of replanning, and the appropriate way for image registration and dose calculation. Well‐designed randomized prospective trials, with a predetermined protocol for both image registration and dose summation, are urgently needed to further investigate the dosimetric and clinical benefits of ART.
Electrophotocatalysis Versus Indirect Electrolysis: Electrochemical Selenocyclization of 3‐Aza‐1,5‐dienes Facilitated by Energy Transfer, Direct Photolysis or N‐Hydroxyphthalimide
Authors: Wang Dongyin , Zeng Li , Shi Jifu , Gao Shulin , Shi Lou , Sun Shaoguang , Liang Deqiang 
Published: April 2024

AbstractThree hybrid electrochemical protocols, which involve the energy transfer, direct photolysis and N‐hydroxyphthalimide catalyst, respectively, are presented for the selenylation/cyclization of the fragile substrates of 3‐aza‐1,5‐dienes with diorganyl diselenides to afford 3‐selenomethyl‐4‐pyrrolin‐2‐ones. The two electrophotocatalytic reactions and the indirect electrolysis one are both regioselective and external‐oxidant‐ and transition‐metal‐free, and are associated with a broad substrate scope and high Se‐economy, and all three methods are amenable to gram‐scale syntheses, late‐stage functionalizations, sunlight‐induced experiments and all‐solar‐driven syntheses.
Detection and Characterization of Hydride Ligands in Copper Complexes by Hard X‐Ray Spectroscopy
Authors: Fritsch Lorena , Rehsies Pia , Barakat Wael , Estes Deven P. , Bauer Matthias 
Published: April 2024

AbstractTransition metal complexes, particularly copper hydrides, play an important role in various catalytic processes and molecular inorganic chemistry. This study employs synchrotron hard X‐ray spectroscopy to gain insights into the geometric and electronic properties of copper hydrides as potential catalysts for CO2 hydrogenation. The potential of high energy resolution X‐ray absorption near‐edge structure (HERFD‐XANES) and valence‐to‐core X‐ray emission (VtC‐XES) is demonstrated with measurement on Stryker's reagent (Cu6H6) and [Cu3(μ3‐H)(dpmppe)2](PF6)2 (Cu3H), alongside a non‐hydride copper compound ICu(dtbppOH) (Cuy−I). The XANES analysis reveals that coordination geometries strongly influence the spectra, providing only indirect details about hydride coordination. The VtC‐XES analysis exhibits a distinct signal around 8975 eV, offering a diagnostic tool to identify hydride ligands. Theoretical calculations support and extend these findings by comparing hydride‐containing complexes with their hydride‐free counterparts.
Asymmetric 1,4‐Addition of Diarylphosphine Oxides to α, β‐Unsaturated 2‐Acyl Imidazoles
Authors: Chen Lirong , Wang Guiyong , Nong Xiufei , Shao Wendi , Li Jiuling , Guo Yafei , Fan Baomin 
Published: April 2024

AbstractHere we introduce a metal‐free, catalytic and enantioselective strategy from α,β‐unsaturated 2‐acyl imidazoles to the chiral phosphorous 2‐acyl imidazoles. Interestingly, this methodology was catalyzed by the classical and commercial oxazaborolidine under mild conditions. This strategy features a wide range of substrates scope with good yields and excellent enantioselectivities. The possible mechanism further suggests the key of this reaction through the cleavage of diarylphosphine oxides using Frustrated Lewis Pairs theory.
Research progress of hydrogen production and CO2 fixation in molten slag cooling process
Authors: Zhou Chaogang , Li Jinyue , Meng Xianguang , Chen Qinggong , Yan Zhanhui , Li Juncheng , Gao Xu , Ueda Shigeru , Wang Shuhuan , Ai Liqun , Lin Lu 
Published: April 2024

AbstractSteel slag is a waste discharged from the iron and steel smelting process, which has the characteristics of large output, high temperature, complex chemical composition and poor stability. The application of steel slag in hydrogen production and CO2 fixation is of great significance for reducing energy consumption, obtaining renewable energy and fixing CO2 in the air. In this paper, the research progress of high‐temperature sensible heat of steel slag used for hydrogen production and CO2 fixation at medium and low temperature is introduced, the reaction mechanism of different hydrogen production methods and the treatment path and direction of high‐efficiency hydrogen production in the future are deeply analyzed, and the steel slag used for CO2 fixation is discussed and summarized from the theory, effect and treatment mode of CO2 fixation. In the future, the research on the economic benefits of hydrogen production and CO2 fixation from steel slag is a major focus, which can achieve economic benefits while utilizing steel slag resources.
Phase Transition in Silicon from Machine Learning Informed Metadynamics
Authors: Bhullar Mangladeep , Bai Zihao , Akinpelu Akinwumi , Yao Yansun 
Published: April 2024

AbstractInvestigating reconstructive phase transitions in large‐sized systems requires a highly efficient computational framework with computational cost proportional to the system size. Traditionally, widely used frameworks such as density functional theory (DFT) have been prohibitively expensive for extensive simulations on large systems that require long‐time scales. To address this challenge, this study employed well‐trained machine learning potential to simulate phase transitions in a large‐size system. This work integrates the metadynamics simulation approach with machine learning potential, specifically deep potential, to enhance computational efficiency and accelerate the study of phase transition and consequent development of grains and dislocation defects in a system. The new method is demonstrated using the phase transitions of bulk silicon under high pressure. This approach has revealed the transition path and formation of polycrystalline silicon systems under specific stress conditions, demonstrating the effectiveness of deep potential‐driven metadynamics simulations in gaining insights into complex material behaviors in large‐sized systems.