bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preliminary outcomes of boron neutron capture therapy for head and neck cancers as a treatment covered by public health insurance system in Japan: Real‐world experiences over a 2‐year period
Authors: Takeno Satoshi , Yoshino Yuki , Aihara Teruhito , Higashino Masaaki , Kanai Yasukazu , Hu Naonori , Kakino Ryo , Kawata Ryo , Nihei Keiji , Ono Koji 
Published: June 2024

AbstractPurposeSince June 2020, boron neutron capture therapy (BNCT) has been a health care service covered by health insurance in Japan to treat locally advanced or recurrent unresectable head and neck cancers. Therefore, we aimed to assess the clinical outcomes of BNCT as a health insurance treatment and explore its role among the standard treatment modalities for head and neck cancers.Materials and MethodsWe retrospectively analyzed data from patients who were treated using BNCT at Kansai BNCT Medical Center, Osaka Medical and Pharmaceutical University, between June 2020 and May 2022. We assessed objective response rates based on the Response Evaluation Criteria in Solid Tumors version 1.1, and adverse events based on the Common Terminology Criteria for Adverse Events, version 5.0. Additionally, we conducted a survival analysis and explored the factors that contributed to the treatment results.ResultsSixty‐nine patients (72 treatments) were included in the study, with a median observation period of 15 months. The objective response rate was 80.5%, and the 1‐year locoregional control, progression‐free survival, and overall survival rates were 57.1% (95% confidence interval [CI]: 43.9%–68.3%), 42.2% (95% CI: 30.1%–53.8%), and 75.4% (95% CI: 62.5%–84.5%), respectively. Locoregional control was significantly longer in patients with earlier TNM staging and no history of chemotherapy.ConclusionsBNCT may be an effective treatment option for locally advanced or recurrent unresectable head and neck cancers with no other definitive therapies. If definitive surgery or radiation therapy are not feasible, BNCT should be considered at early disease stages.
Omicron neutralization character in patients with breast cancer and liver cancer after the nationwide omicron outbreak
Authors: Zhang Shaohua , Tang Lili , Bao Chunmei , Wang Siyu , Li Bo , Huang Lei , Song Hua , Fu Junliang , Xu Zhe , Meng Fanping , Cao Lin , Gao Yingying , Yuan Yue , Chen Yangliu , Yuan Jinhong , Zhou Chunbao , Li Fan , Qin Lili , Guo Yingfei , Zhang Chao , Song Jinwen , Fan Xing , Jiang Zefei , Wang Fu‐Sheng , Xu Ruonan 
Published: June 2024

AbstractBackgroundThe surge in omicron variants has caused nationwide breakthrough infections in mainland China since the December 2022. In this study, we report the neutralization profiles of serum samples from the patients with breast cancer and the patients with liver cancer who had contracted subvariant breakthrough infections.MethodsIn this real‐world study, we enrolled 143 COVID‐19‐vaccinated (81 and 62 patients with breast and liver cancers) and 105 unvaccinated patients with cancer (58 and 47 patients with breast and liver cancers) after omicron infection. Anti‐spike receptor binding domain (RBD) IgGs and 50% pseudovirus neutralization titer (pVNT50) for the preceding (wild type), circulating omicron (BA.4‐BA.5, and BF.7), and new subvariants (XBB.1.5) were comprehensively analyzed.ResultsPatients with liver cancer receiving booster doses had higher levels of anti‐spike RBD IgG against circulating omicron (BA.4‐BA.5, and BF.7) and a novel subvariant (XBB.1.5) compared to patients with breast cancer after breakthrough infection. Additionally, all vaccinated patients produced higher neutralizing antibody titers against circulating omicron (BA.4‐BA.5, and BF.7) compared to unvaccinated patients. However, the unvaccinated patients produced higher neutralizing antibody against XBB.1.5 than vaccinated patients after Omicron infection, with this trend being more pronounced in breast cancer than in liver cancer patients. Moreover, we found that there was no correlation between anti‐spike RBD IgG against wildtype virus and the neutralizing antibody titer, but a positive correlation between anti‐spike RBD IgG and the neutralizing antibody against XBB.1.5 was found in unvaccinated patients.ConclusionOur study found that there may be differences in vaccine response and protective effect against COVID‐19 infection in patients with liver and breast cancer. Therefore, we recommend that COVID‐19 vaccine strategies should be optimized based on vaccine components and immunology profiles of different patients with cancer.
Anti‐Malarial and Multi‐Bioactive Co (II), Cu (II) and Ni (II) Salen Complexes: Synthesis, Characterization and Computational Studies
Authors: Todarwal Minakshee A. , Sancheti Rakesh S. , Nikume Sumit R. , Patel Harun M. , Bendre Ratnamala S. 
Published: June 2024

AbstractHerein, we report the anti‐malarial, anti‐bacterial and anti‐inflammatory activities of the N2O2 donor tetradentate salen type ligand and its CoL, NiL, and CuL metal complexes. The synthesized compounds were characterized by various spectroscopic analytical methods. The in‐vitro anti‐malarial investigations revealed that the complex CuL exhibited equipotency with quinine drug having IC50 value 0.25 μg/mL. The compound L showed significant inhibition of bacterial spp. viz. E. Coli, P. Aeruginosa, and S. Aureus (MIC=12.5–50 μg/mL), while the compound CoL (MIC=12.5 μg/mL) exhibited potency against gram‐positive bacteria. In the in‐vitro anti‐inflammatory study, the compound CuL displayed moderate activity than other tested compounds. The compound CuL showed the highest anti‐malarial docking score with enzyme pLDH at −8.12 Kcal/mol. The DFT study also gives authentication of higher antimalarial activity of CuL due to high dipole moment. None of the potent compounds was found cytotoxic towards vero cell lines.
GOLPH3 inhibits erastin‐induced ferroptosis in colorectal cancer cells
Authors: Chen Lihua , Wang Chunxiao , Chen Xiaojing , Wu Yuze , Chen Mingliang , Deng Xian , Qiu Chengzhi 
Published: June 2024

AbstractFerroptosis is a novel form of programmed cell death and is considered to be a druggable target for colorectal cancer (CRC) therapy. However, the role of ferroptosis in CRC and its underlying mechanism are not fully understood. In the present study we found that a protein enriched in the Golgi apparatus, Golgi phosphoprotein 3 (GOLPH3), was overexpressed in human CRC tissue and in several CRC cell lines. The expression of GOLPH3 was significantly correlated with the expression of ferroptosis‐related genes in CRC. The overexpression of GOLPH3 in Erastin‐induced Caco‐2 CRC cells reduced ferroptotic phenotypes, whereas the knockdown of GOLPH3 potentiated ferroptosis in HT‐29 CRC cells. GOLPH3 induced the expression of prohibitin‐1 (PHB1) and prohibitin‐2 (PHB2), which also inhibited ferroptosis in Erastin‐treated CRC cells. Moreover, GOLPH3 interacted with PHB2 and nuclear factor erythroid 2‐related factor 2 (NRF2) in Caco‐2 cells. These observations indicate that GOLPH3 is a negative regulator of ferroptosis in CRC cells. GOLPH3 protects these cells from ferroptosis by inducing the expression of PHB1 and PHB2, and by interacting with PHB2 and NRF2.
Reaction Mechanisms of Single Metal Site Catalysts Supported on Covalent Organic Frameworks
Authors: Gopakumar Aswin , Ortuño Manuel A. , Lloret‐Fillol Julio 
Published: June 2024

AbstractCovalent organic frameworks (COFs) have become a versatile platform to immobilize a wide variety of single‐atom metal catalysts. The resulting post‐synthetic modified materials present a spectrum of valuable properties ranging from homogeneous to heterogeneous systems, such as well‐defined catalytic sites, selectivity, recyclability, and stability. In this minireview, we discuss selected contributions that provide experimental and computational details on reaction mechanisms (e. g., via EXAFS, TEM, and DFT) catalyzed by single‐atom metals embedded within the COF structure. When applicable, we highlight the different behaviour between molecular (homogeneous) and COF‐supported (heterogeneous) sites regarding catalytic performance. With this survey, we aim to decipher the key features that aid in seeing COFs as not merely passive supports but as active items in catalysis.
Harnessing Light and CO2 With Copper‐Nickel on TiO2 Photocatalysts for Methanol Production
Authors: Mutiara Siska , Saputera Wibawa Hendra , Utomo Wahyu Prasetyo , Chung Hoi Ying , Abdi Fatwa Firdaus , Devianto Hary , Sasongko Dwiwahju 
Published: June 2024

AbstractThe contemporary focus on global concerns such as carbon dioxide (CO2) emissions impacting the environment and contributing to the energy crisis has prompted exploration into alternatives, with photocatalysis emerging as a potential solution. This research involved the development of a PT (TiO2) photocatalyst, synthesized through the hydrothermal method and enhanced with double co‐catalysts of copper and nickel via the wet impregnation technique. The characteristics of the resulting photocatalysts were comprehensively examined using various techniques, including XRD, Raman, UV‐Vis DRS, surface area and pore analysis, SEM‐EDX, HRTEM, XPS, PL, and EPR. The characterization outcomes revealed that the PT phase comprised anatase, brookite, and rutile. The incorporation of double co‐catalysts was evident through the emergence of new peaks in the XRD diffraction pattern, corroborated by SEM, HRTEM, and XPS analysis. In the activity test, CNT‐4 (Cu−Ni/TiO2‐400) exhibited the highest methanol yield at 772.41 μmole g−1 h−1, followed by CONTT‐4 (CuO−NiTiO3/TiO2‐400) with 750.38 μmole g−1 h−1 after three hours of irradiation using a 300 W xenon lamp, while methanol in PT formed only after three hours of irradiation. The presence of co‐catalysts significantly influenced methanol yield, attributed to the increased active sites for the reaction and the reduced band gap, impacting light absorption optimization and suppressing electron‐hole recombination. In CNT‐4, the formation of Ti3+ associated with oxygen vacancies facilitated the generation of more products.
Photocatalyst‐Free Visible Light‐Induced C(sp2)−H Arylation of Quinoxalin‐2(1H)‐ones and Coumarins
Authors: Yu Dingzhe , Yang Wenjing , Chen Shuicai , Zhou Cong‐Ying , Guo Zhen 
Published: June 2024

AbstractHerein, we describe a visible light‐induced C(sp2)−H arylation method for quinoxalin‐2(1H)‐ones and coumarins using iodonium ylides without the need for external photocatalysts. The protocol demonstrates a broad substrate scope, enabling the arylation of diverse heterocycles through a simple and mild procedure. Furthermore, the photochemical reaction showcases its applicability in the efficient synthesis of biologically active molecules. Computational investigations at the CASPT2//CASSCF/PCM level of theory revealed that the excited state of quinoxalin‐2(1H)‐one facilitates electron transfer from its π bond to the antibonding orbital of the C−I bond in the iodonium ylide, ultimately leading to the formation of an aryl radical, which subsequently participates in the C−H arylation process. In addition, our calculations reveal that during the single‐electron transfer (SET) process, the C−I bond cleavage in iodonium ylide and new C−C bond formation between resultant aryl radical and cationic quinoxaline species take place in a concerned manner. This enables the arylation reaction to efficiently proceed along an energy‐efficient route.
Self‐Assembling Peptide‐Based High‐Relaxivity Targeted MRI Contrast Agents
Authors: O'Brien Andrew M. , Pileski Griffin C. , Henry Matthew P. , Soika Dana Q. M. , Deutsch Alex W. , Hornak Joseph P. , Schmitthenner Hans F. 
Published: June 2024

AbstractConcentration‐dependent increases in relaxivity (r1) were found to be induced by self‐assembly when Fmoc is adjacent to tryptophan in peptide‐based MRI contrast agents featuring Gd‐DOTA. A series of di‐ and tri‐peptides were synthesized to test the effect of ionic strength, N‐terminal substituent, peptide length, net charge, and relative location of Fmoc and tryptophan on r1 and critical aggregation concentration (CAC) at 1.0 Tesla. Compared to nominal r1 values of 3.5–7.4 mM−1 s−1 per Gd(III), r1 values increased dramatically to 13.2–16.9 mM−1 s−1 per Gd(III) upon self‐assembly, with CACs between 0.22 and 2.59 mM when tested in H2O or PBS. When tested in fetal bovine serum (FBS), the compounds maintained high r1 values of 11.2‐13.0 mM−1 s−1, but had dramatically lower CAC values below 25 μM. These findings guided the synthesis of two targeted, high‐relaxivity MRI contrast agents that contained PSMA‐binding ligand, DCL. Their r1 values in H2O or PBS increased from 5.9–7.4 mM−1 s−1 to 13.5–14.8 mM−1 s−1 with CAC values of 1.65–2.70 mM. In FBS, their r1 values were found to be 11.2–11.9 mM−1 s−1, with CAC values below 25 μM. By the conjugation of targeting agents in the last step of synthesis, a broadly applicable route to targeted, high‐relaxivity MRI contrast agents is offered.
Molecularly targeted immunotherapy used to treat a novel overlap syndrome of pediatric N‐methyl‐d‐aspartate receptor encephalitis (NMDARE) and possible neurosarcoidosis
Authors: Pickup Elizabeth , Redmond Christopher , Sherman Matthew A. , Nair Lakshmi Ramachandran , Sule Sangeeta , Wells Elizabeth , Kornbluh Alexandra B. 
Published: June 2024

AbstractObjectiveOverlap syndromes have been described between N‐methyl‐
d‐aspartate receptor encephalitis (NMDARE) and other neuroinflammatory conditions, although rarely involving neurosarcoidosis. Molecularly targeted immunotherapy may be helpful in the empiric treatment of these conditions.MethodsWe describe a 9‐year‐old boy with new‐onset seizures and worsening encephalopathy.ResultsInitial evaluation was concerning for neurosarcoidosis, including elevated cerebrospinal fluid (CSF) and serum angiotensin‐converting enzyme and leptomeningeal with multiple cranial nerve enhancement on magnetic resonance imaging. CSF and serum cytokine profiles were used to choose targeted empiric immunotherapy, and the boy's seizure burden and encephalopathy improved after treatment with tocilizumab. The NMDA receptor antibody titer was later found to be elevated, raising suspicion for a novel overlap syndrome.InterpretationOur patient met the criteria for definite NMDARE and possible neurosarcoidosis. Given the mixed radiographic and serologic markers in this child, cytokine levels were used to direct the choice of empiric treatment, resulting in excellent clinical response. This case suggests that targeted immunotherapy informed by cytokine testing may be helpful in cases of high‐acuity pediatric neuroinflammatory disease with limited diagnostic clarity.
Synthesis, Characterization, and Application of a Polyoxometalates‐Based CuII Complex for Efficient Catalytic Oxidation and Electrochemical Detection
Authors: Liu Xiaohui , Li Muzi , Zhang Libo , Zhang Xiaoyan , Xiao Ru , Xu Na , Li Hui , Wang Xiuli 
Published: June 2024

AbstractThe development of eco‐friendly, high‐efficiency polyoxometalates (POMs) catalysts is vital for advancing catalytic oxidation and electrochemical detection in environmental protection. Herein, a POM‐based CuII‐containing complex with the molecular formula [H(4‐AP)]8[Cu2(H2O)4(P2Mo5O23)2]·8H2O (1) (4‐AP = 4‐aminopyridine) is synthesized using the hydrothermal method, and the crystal structure is determined by single X‐ray diffraction (SXRD), infrared (IR) spectroscopy, and powder X‐ray diffraction (PXRD). Structurally, complex 1 exhibits a one dimension (1D) chain arrangement, composed of CuII ions and Strandberg‐type (P2Mo5O23)6− anionic clusters. These 1D chains are further interconnected through [H(4‐AP)]+ ligands, resulting in the formation of a two dimension (2D) supramolecular network. Complex 1 serves as an outstanding heterogeneous catalyst for the oxidation of methyl phenyl sulfide (MPS), demonstrating a remarkable conversion rate of 99% for MPS and a selectivity of 98% toward methyl phenyl sulfoxide (MPSO). In addition to its catalytic capabilities, complex 1 is also employed in the electrochemical detection of FeIII and CrVI ions, with low limits of detection (LODs) at 4.92 µm for FeIII and 7.82 µM for CrVI.
Literature review of greenwashing research: State of the art
Authors: Zioło Magdalena , Bąk Iwona , Spoz Anna 
Published: June 2024

AbstractThe article presents the state of research on the greenwashing. Greenwashing is a popular research trend; recently (especially, 2020–2023), more and more systematic reviews have been published. However, unlike other reviews, the article presents the broadest possible research perspective, without highlighting any research trends. The original approach is expressed in the article as a review of literature reviews. As a result of the research conducted using correspondence analysis in the years 2007–2023, 112 publications were isolated and grouped into six clusters presenting publications according to groups of enterprises, the geographical context of the study, entity that can use the research results, and factors negatively correlated with greenwashing. The obtained results show that greenwashing is an increasingly popular research trend; various stakeholders, including governments and financial institutions, can use research results. Articles related to Africa have their characteristics and constitute a separate research motive.
How and when supervisor bottom‐line mentality affects employees' voluntary workplace green behaviors: A goal‐shielding perspective
Authors: Zhang Junwei , Akhtar Muhammad Naseer , Zhang Yajun , Tang Jiao , Yang Qing 
Published: June 2024

AbstractThe present study examines how and when employees respond to supervisor bottom‐line mentality (BLM) by withholding voluntary workplace green behavior (VWGB). Drawing upon goal shielding theory, we developed a serial mediation model explaining that supervisor BLM inhibits their green advocacy, undermining the green work climate (GWC) and reducing employee VWGB. The analyses of multilevel data obtained from 287 employees and 68 supervisors provided support for the study hypotheses. Our findings showed that supervisor BLM constrained their green advocacy, which undermined the GWC and, in turn, dampened employee VWGB. Furthermore, supervisor moral reflectiveness muted the negative association between supervisor BLM and green advocacy and the negative indirect effect of supervisor BLM on employee VWGB serially via supervisor green advocacy and GWC. Our research provides novel insights into the values that responsibly impact voluntary green behaviors in the workplace by illuminating supervisors' BLM, moral reflectiveness, green advocacy, and GWC. Finally, we provide practical implications for leaders committed to enhancing their organization's environmental sustainability. We recommend future studies investigating the consequences of supervisor BLM, underlying mechanisms, and boundary conditions in understanding employees' responses toward workplace green behaviors.
New benzimidazole‐oxadiazole derivatives as potent VEGFR‐2 inhibitors: Synthesis, anticancer evaluation, and docking study
Authors: Acar Çevik Ulviye , Celik Ismail , Görgülü Şennur , Şahin Inan Zeynep Deniz , Bostancı Hayrani Eren , Özkay Yusuf , Kaplacıklı Zafer Asım 
Published: June 2024

AbstractWe report herein, the design and synthesis of benzimidazole‐oxadiazole derivatives as new inhibitors for vascular endothelial growth factor receptor‐2 (VEGFR‐2). The designed members were assessed for their in vitro anticancer activity against three cancer cell lines and two normal cell lines; A549, MCF‐7, PANC‐1, hTERT‐HPNE and CCD‐19Lu. Compounds 4c and 4d were found to be the most effective compounds against three cancer cell lines. Compounds 4c and 4d were then tested for their in vitro VEGFR‐2 inhibitory activity, safety profiles, and selectivity indices using the normal hTERT‐HPNE and CCD‐19Lu cell lines. It was determined that compound 4c was the most effective and safe member of the produced chemical family. Vascular endothelial growth factor A (VEGFA) immunolocalizations of compounds 4c and 4d were evaluated relative to control by VEGFA immunofluorescence staining. Compounds 4c and 4d inhibited VEGFR‐2 enzyme with half‐maximal inhibitory concentration values of 0.475 ± 0.021 and 0.618 ± 0.028 µM, respectively. Molecular docking of the target compounds was carried out in the active site of VEGFR‐2 (Protein Data Bank: 4ASD).
Numerical study on gas production via a horizontal well from hydrate reservoirs with different slope angles in the South China Sea
Authors: Luo Tingting , Song Jianlin , Sun Xiang , Cheng Fanbao , Bangalore Narasimha Murthy Madhusudhan , Chen Yulu , Zhao Yi , Song Yongchen 
Published: June 2024

AbstractIt is important to study the effect of hydrate production on the physical and mechanical properties of low‐permeability clayey–silty reservoirs for the large‐scale exploitation of hydrate reservoirs in the South China Sea. In this study, a multiphysical‐field coupling model, combined with actual exploration drilling data and the mechanical experimental data of hydrate cores in the laboratory, was established to investigate the physical and mechanical properties of low‐permeability reservoirs with different slope angles during 5‐year hydrate production by the depressurization method via a horizontal well. The result shows that the permeability of reservoirs severely affects gas production rate, and the maximum gas production amount of a 20‐m‐long horizontal well can reach 186.8 m3/day during the 5‐year hydrate production. Reservoirs with smaller slope angles show higher gas production rates. The depressurization propagation and hydrate dissociation mainly develop along the direction parallel to the slope. Besides, the mean effective stress of reservoirs is concentrated in the near‐wellbore area with the on‐going hydrate production, and gradually decreases with the increase of the slope angle. Different from the effective stress distribution law, the total reservoir settlement amount first decreases and then increases with the increase of the slope angle. The maximum settlement of reservoirs with a 0° slope angle is up to 3.4 m, and the displacement in the near‐wellbore area is as high as 2.2 m after 5 years of hydrate production. It is concluded that the pore pressure drop region of low‐permeability reservoirs in the South China Sea is limited, and various slope angles further lead to differences in effective stress and strain of reservoirs during hydrate production, resulting in severe uneven settlement of reservoirs.
The importance of precise and suitable descriptors in data‐driven approach to boost development of lithium batteries: A perspective
Authors: Wang Zehua , Wang Li , Zhang Hao , Xu Hong , He Xiangming 
Published: June 2024

AbstractConventional approaches for developing new materials may no longer be adequate to meet the urgent needs of humanity's energy transition. The emergence of machine learning (ML) and artificial intelligence (AI) has led materials scientists to recognize the potential of using AI/ML to accelerate the creation of new battery materials. Although fixed material properties have been extensively studied as descriptors to establish the link between AI and materials chemistry, they often lack versatility and accuracy due to a lack of understanding of the underlying mechanisms of AI/ML. Therefore, materials scientists need to have a comprehensive understanding of the operational mechanisms and learning logic of AI/ML to design more accurate descriptors. This paper provides a review of previous research studies conducted on AI, ML, and descriptors, which have been used to address challenges at various levels, ranging from materials development to battery performance prediction. Additionally, it introduces the basics of AI and ML to assist materials and battery developers in comprehending their operational mechanisms. The paper demonstrates the significance of precise and suitable ML descriptors in the creation of new battery materials. It does so by providing examples, summarizing current descriptors and ML algorithms, and examining the potential implications of future AI advancements for the sustainable energy industry.