bluuebunny/crossref_metadata_2025_split huggingface dataset:
Response‐shift effects in childhood cancer survivors: A prospective study
Authors: Huang I‐Chan , Sim Jin‐ah , Srivastava DeoKumar , Krull Kevin R. , Ness Kirsten K. , Robison Leslie L. , Baker Justin N. , Hudson Melissa M. , Schwartz Carolyn E. 
Published: May 2023

AbstractBackgroundTreatment‐related late effects can worsen over time among cancer survivors. Such worsening health states may trigger changes in internal standards, values, or conceptualization of quality‐of‐life (QOL). This “response‐shift” phenomenon can jeopardize the validity of QOL assessment, and misrepresent QOL comparisons over time. This study tested response‐shift effects in reporting future‐health concerns among childhood cancer survivors who experienced progression in chronic health conditions (CHCs).Methods2310 adult survivors of childhood cancer from St. Jude Lifetime Cohort Study completed a survey and clinical assessment at two or more timepoints. Based on 190 individual CHCs graded for adverse‐event severity, global CHC burden was classified as “progression” or “non‐progression”. QOL was assessed using the SF‐36TM eight domains and physical‐ and mental‐component summary scores (PCS, MCS). A single global item measured concerns about future health. Random‐effects models comparing survivors with and without progressive global CHC burden (progressors vs. non‐progressors) evaluated response‐shift effects (recalibration, reprioritization, reconceptualization) in reporting future‐health concerns.ResultsCompared with non‐progressors, progressors were more likely to de‐emphasize (or downplay) overall physical and mental health in evaluating future‐health concerns (p‐values<0.05), indicating recalibration response‐shift, and more likely to de‐emphasize physical health earlier rather than later in follow‐up (p‐value<0.05), indicating reprioritization response‐shift. There was evidence for a reconceptualization response‐shift with progressor classification associated with worse‐than‐expected future‐health concerns and physical health, and better‐than‐expected pain and role‐emotional functioning (p‐values<0.05).ConclusionWe identified three types of response‐shift phenomena in reporting concerns about future health among childhood cancer survivors. Survivorship care or research should consider response‐shift effects when interpreting changes in QOL over time.
Rapamycin treatment increases survival, autophagy biomarkers and expression of the anti‐aging klotho protein in elderly mice
Authors: Szőke Kitti , Bódi Beáta , Hendrik Zoltán , Czompa Attila , Gyöngyösi Alexandra , Haines Donald David , Papp Zoltán , Tósaki Árpád , Lekli István 
Published: May 2023

AbstractPrevious investigations have demonstrated that treatment of animals with rapamycin increases levels of autophagy, which is a process by which cells degrade intracellular detritus, thus suppressing the emergence of senescent cells, whose pro‐inflammatory properties, are primary drivers of age‐associated physical decline. A hypothesis is tested here that rapamycin treatment of mice approaching the end of their normal lifespan exhibits increased survival, enhanced expression of autophagic proteins; and klotho protein—a biomarker of aging that affects whole organism senescence, and systemic suppression of inflammatory mediator production. Test groups of 24‐month‐old C57BL mice were injected intraperitoneally with either 1.5 mg/kg/week rapamycin or vehicle. All mice administered rapamycin survived the 12‐week course, whereas 43% of the controls died. Relative to controls, rapamycin‐treated mice experienced minor but significant weight loss; moreover, nonsignificant trends toward decreased levels of leptin, IL‐6, IL‐1β, TNF‐α, IL‐1α, and IGF‐1, along with slight elevations in VEGF, MCP‐1 were observed in the blood serum of rapamycin‐treated mice. Rapamycin‐treated mice exhibited significantly enhanced autophagy and elevated expression of klotho protein, particularly in the kidney. Rapamycin treatment also increased cardiomyocyte Ca2+‐sensitivity and enhanced the rate constant of force re‐development, which may also contribute to the enhanced survival rate in elderly mice.
A probabilistic constant amplitude life diagram modeling method for composite materials considering spatial mapping relation
Authors: Shilong Zeng , Qiang Ma , Huidong Ma , Xuezong Bai , Zongwen An 
Published: May 2023

AbstractConventional constant amplitude life diagrams (CLDs) model cannot reasonably describe mean stress effect and stochastic uncertainty present in the fatigue failure process of composite materials. To address this problem, taking the spatial mapping relationship between probabilistic S‐N curves and probabilistic CLD model as an entry point, a probabilistic CLD modeling method is proposed under the assumption of linear equations and the assumption of equiprobable quantile point between static strength distributions and fatigue life distributions. The p‐S‐N curve is established using fatigue test data from different load zones divided by different stress ratios.Subsequently, the p‐CLD model is derived through the spatial mapping relationship of the p‐S‐N curve. The method is validated by fatigue test data of glass fiber/polyester resin composites. The results indicate that the proposed method can offer an accurate description of the probabilistic behavior of composite materials.
Oriented electric field stabilized beryllium dimer
Authors: Guha Ankur K. 
Published: May 2023

AbstractOriented electric field (OEEF) has shown promises as smart reagent in many chemical phenomenons. Herein, calculations have shown that application of OEEF along the bond axis can create a strong interaction between beryllium dimer, which in general, is a very weakly bound dimer. OEEF induces significant charge polarization along the bond axis, which resulted in strongly bound beryllium dimer. However, optimum field is required to generate strong interaction. Magnesium and calcium dimers also showed similar strong interaction on application of OEEFs along the bond axis. Field strength required to induce strong interaction depends on the polarizability of the atoms. Significant increment in bond dissociation energies has been observed. Topological feature of electron density clearly reveals charge polarization responsible for such strong interaction.
Oxygen reduction activity of sulfur‐functionalized Ti3C2S2 supported single‐atom catalysts by first‐principles calculations
Authors: Cao Da , Shen Pengcheng , Liu Hui , Li Jice , Zhang Zhizhao , Li Ying 
Published: May 2023

AbstractDeveloping the oxygen reduction reaction (ORR) catalysts with high catalytic activity and low cost is necessary to improve the energy conversion efficiency of hydrogen fuel cells. MXenes with oxygen‐functional terminals have been extensively used as the substrate materials of single‐atom electrocatalytsts. Herein, the novel sulfur‐functionalized Ti3C2S2 supporting 3d, 4d, and 5d transition metal (TM) atoms (TM = Fe, Co, Ni, Cu, Ag, Au, Ir, Os, Pd, Pt, Rh, and Ru) are theoretically constructed and investigated for their ORR activity and stability by the first‐principles calculations. Ni/Ti3C2S2, Pd/Ti3C2S2, and Ir/Ti3C2S2 are screened as the potential ORR catalysts based on their lower overpotentials, while the single‐atom Fe, Ru, and Os with unfilled d electrons and Cu, Ag, and Pt with filled d electrons exhibit high overpotentials up to about 1 V. Compared with Ti3C2O2, Ti3C2S2‐based single‐atom catalysts show higher ORR activity due to the larger charge density and moderate adsorption ability to oxygen intermediates.
A 92‐year‐old patient with thoracic empyema successfully treated by CT‐guided insertion of a pigtail catheter
Authors: Fujita Kohei , Hirai Masataka , Saito Zentaro , Ito Takanori , Imakita Takuma , Oi Issei , Kanai Osamu , Tachibana Hiromasa , Mio Tadashi 
Published: May 2023

AbstractWe present a case report of a 92‐year‐old patient with thoracic empyema, who was successfully treated via CT‐guided insertion of a pigtail catheter. The advanced age of the patient often poses challenges in managing pyothorax due to limited physical activity and cognitive decline stemming from decreased activities of daily living. In instances where thoracic drainage is not feasible, the course of treatment is protracted and the prognosis is poor. Our case report exemplifies the successful treatment of pyothorax in a geriatric patient via CT‐guided insertion of a pigtail catheter. We believe that this educational case serves as a testament to the fact that even the most aged patients can be successfully treated with resourcefulness.
Effective Role of Polyamidoamine (PAMAM) Dendrimer Functionalized Nanomaterials in Anticancer Applications
Authors: Nandhabala Sundramoorthi , Hemalatha Jayachandran , Senthamil Chennappan , Sakthivel Chandrasekar , Nivetha Ambikapathi , Prabha Inbaraj 
Published: May 2023

AbstractOne of the most severe health diseases affect the mankind is cancer. The treatment methods such as magnetic hyperthermia, chemotherapy, photothermal therapy and MRI‐traced cancer drug delivery system have been available for cancer treatment. The prime of cancer treatment is Chemotherapy but it has not proved the proper satisfaction due to the resistance developed in the tumour. Now‐a‐days, dendrimers are the most important and powerful drug carriers in the anticancer applications. The polyamidoamine (PAMAM) dendrimers have played wider role and the addition of nanomaterials in polyamidoamine dendrimer provided great results in the anticancer properties and medicinal applications. In recent years, researchers have interested to undergo investigation on dendrimer supported nanomaterials due to the outstanding experimental results against the cancer cells. Therefore, the main goal of the article is to deliberate the comprehensive overview of the properties, anticancer applications of the nanomaterials supported dendrimer as the nanocarrier for the anticancer applications.
Efficient Adsorption and Mechanism of Organic Dyes on Freeze‐Dried Graphene
Authors: Jia Mingming , Liu Changyuan , Dang Zhenhua , Zhao Xuhao , Chen Kezheng 
Published: May 2023

AbstractOrganic dyes are widely existing in the waste of printing and dyeing industry, which cannot be ignored due to their potential threats to human health and the environment. Development a useful and simple technology to prepare high‐performance adsorbent to purify the dyes from the wastewater is always a challenging. In this work, the freeze‐drying graphene (FG) is prepared through freeze‐drying process method. In addition, the structural and chemical characteristics between the FG and graphene were comparatively analyzed. The results show that compare to the reference graphene, the FG is a high‐efficiency adsorbent. The theoretical maximum undertakes of rhodamine B and methyl blue were 358.62 and 547.81 mg g−1. The influence and mechanism of affecting factors were investigated, such as contact time, adsorbent dosage, pH, and temperature, to the adsorption. The results suggested that the adsorption of organic dyes on FG followed a homogeneous monolayer physical adsorption (HMPA) mechanism, and the adsorption rates were related to the number of unoccupied vacancies on the adsorbent surface. The characterization instruments of FTIR, XPS, and SEM‐EDS confirmed that the HMPA contains the formation of hydrogen‐bond and π–π interactions, electrostatic attraction, physical pore filling, and complexing adsorption. Our work, proposes a freeze‐drying graphene that is a promising candidate as high‐performance adsorbent to purify the dyes from the wastewater.
Fused 1,4‐Dihydropyridines and Their Corresponding Pyridines: Synthesis, Molecular Modeling and Cholinesterase Inhibition
Authors: Najafi Zahra , Alaei Meysam , Bahmani Asrin , Akbarzadeh Tahmineh , Hariri Roshanak , Chehardoli Gholamabbas 
Published: May 2023

AbstractNovel series of fused 1,4‐dihydropyridine derivatives were designed and synthesized. Oxidized to the corresponding pyridines were these dihydropyridines. Both dihydropyridines and pyridines were evaluated as acetyl and butyrylcholinesterase inhibitors. 1,4‐dihydropyridine derivatives outperformed pyridines against the butyrylcholinesterase enzyme, but none had a suitable inhibitory effect against acetylcholinesterase. Among the 1,4‐dihydropyridines, compounds derived from vanillin (4 j–p) inhibited butyrylcholinesterase (BChE) with IC50 values of 2.87–15.61 μM, but compounds derived from 4‐hydroxybenzaldehyde did not show a suitable inhibitory effect against butyrylcholinesterase. Among them, the compound 9‐(4‐((4‐Chlorobenzyl)oxy)‐3‐methoxyphenyl)‐3,4,6,7,9,10‐hexahydroacridine‐1,8(2H,5H)‐dione (4 p) showed appropriate inhibitory activity against BChE with an IC50 value of 2.87 μM compared with tacrine and donepezil as reference drugs (0.005 and 0.95 μM, respectively). The most outstanding results of kinetic and molecular modeling studies is that compound 4 p acts as a mixed and dual binding inhibitor, and binds to CAS and PAS of the BChE enzyme. These results show that with minor changes in the structure of fused 1,4‐dihydropyridines, new anti‐Alzheimer drugs with better performance can be achieved.
Role of Polymethinic Chain Substitution on the Two‐Photon Absorption Cross‐section of Heptamethine Cyanine Dyes
Authors: Guarin Cesar A. , Mendoza‐Luna Luis Guillermo , Galicia‐López Juan F. , Haro‐Poniatowski Emmanuel , Díaz‐Ponce Javier Alejandro , Hernández‐Pozos José Luis 
Published: May 2023

AbstractThe effect on the two‐photon absorption of heptamethine cyanines (HMCy) upon polymethinic chain substitution is explained via measurements with a femtosecond laser and time‐dependent/density functional theory calculations. An analysis of the optical properties of several HMCy is presented, emphasizing the similarities and differences between IR780 and HITC (used as a case study of HMCy), mainly by analyzing meso‐substitution and investigating the effect of intermediate structures between both molecules. The two‐photon absorption cross‐section of HITC diluted in methanol was measured, yielding a peak of 1838 GM at 830 nm. Spectroscopic and electronic structure computational data show that the change of polymethine chain substituents significantly affects excited state S4 of the molecules, modulating their transition moment and relative energy which, together with changes in the molecular geometry, govern non‐linear absorption.
Hydrophobic Modification of the α‐Hemihydrate Phosphogypsum (α‐HH) Surface by Myristic Acid
Authors: Yuan Xue‐Mei , Xie Hui‐Juan , Fan Zhi‐Yu , Zhou Lan , Wen Zhu , Tao Wen‐Liang , Nie Deng‐Pan , Wu Yi‐Yi 
Published: May 2023

AbstractPhosphogypsum is widely used as a filler. However, gypsum fillers exhibit poor water resistance, compromising the performance of subsequent products. To address this issue, we modified α‐hemihydrate phosphogypsum (α‐HH) with myristic acid (ΜΑ), a low surface energy material used to prepare super hydrophobic (SHP) surfaces. The MA concentration, temperature, and modification time were optimized using a Box‐Behnken experimental design method. The surface properties, microstructure, and thermal stability of the modified powders were characterized using contact angle measurements, X‐ray diffraction (XRD), Fourier transform infrared (FT‐IR) spectroscopy, Raman spectrum, X‐ray photoelectron spectroscopy (XPS), scanning electron microscopy coupled with energy‐dispersive X‐ray spectroscopy (SEM‐EDS), and thermal gravimetry‐differential scanning calorimetry (TG‐DSC). Additionally, we discussed the hydrophobic modification mechanism of the modified α‐HH. The modified α‐HH/MA prepared with 11.0×10−4 mol L−1 MA at 60 °C for 60 min exhibited high hydrophobicity. During modification, MA bound to the calcium ions on the surface of α‐HH to form calcium myristate, thereby forming a hydrophobic film. The thermal stability of α‐HH was improved by MA modification. The modified powder maintained high hydrophobicity even at 250 °C.
Synthesis and Virtual Screening of Pyrazolothiazole Conjugates as Promising SARS‐CoV‐2 Inhibitors
Authors: Seliem Amal F. 
Published: May 2023

AbstractThe current coronavirus outbreak has highlighted the significance of continuing to develop novel antiviral agents. The SARS‐CoV‐2 main protease (Mpro), essential for virus replication, has been recognized as a potential target for developing novel COVID‐19 therapeutics. Herein, we report synthesizing a series of pyrazolothiazole conjugates andin silicomolecular docking screening of their interactions with the COVID‐19 protease 6LU7 protein. The new hybrids were obtained by condensing substituted pyrazole‐4‐carbaldehyde withN‐phenyl‐hydrazinecarbothioamide and subsequent refluxing with selected α‐haloketones in a basic medium. The structures of the novel pyrazolothiazoles were fully verified by FTIR,1H NMR,13C NMR, and elemental analyses. Molecular docking and free energy analyses using the MM/GBSA approach revealed that5 a–cand7 a–cformed stable interactions within the protease 6LU7 pocket, thus, could be potential inhibitors of SARS‐CoV‐2.
Drug Design, Molecular Docking and Molecular Dynamics Simulations of Indole Class HIV‐1 NNRTIs Explored with QSAR and Topomer Search
Authors: Chen Lu , Zhang Yanjun , Wang Zhonghua , Jiang Huifang , Xu Jie , Xiong Fei 
Published: May 2023

AbstractHIV reverse transcriptase (RT) as one of the key targets for the treatment of HIV, and in recent years a series of indole class non‐nucleoside reverse transcriptase inhibitors (NNRTIs) with potent anti‐HIV‐1 properties have been reported. In this paper, Topomer CoMFA model with reliable validation results (q2=0.809, R2=0.983, R2pred=0.870) for exploring the quantitative structure‐activity relationship (QSAR) of the inhibitors. And the relationship between molecular structures and activities were further analysed using the contour plots. The Topomer search technique was employed to search and then designed novel compounds with stronger inhibitory effects. Molecular docking showed that the residue LYS101, GLU138 and ILE180 played a key role, meanwhile, the stability of the docking results was verified by molecular dynamics simulations (MD). Finally, the calculated results of the binding free energy calculations agree with the predictions of the model, further validating the reliability of the proposed model.
Silicon Phthalocyanines as Anti‐infectious, Antioxidant, and Anticancer Agents
Authors: Yenilmez H. Yasemin , Farajzadeh Nazli , Tollu Gülşah , Kuşçulu Nilgün Güler , Bahar Dilek , Özdemir Sadin , Bayır Zehra Altuntaş 
Published: May 2023

AbstractThis study reports the synthesis of three silicon phthalocyanines (SiPc1–3) bearing 2‐dimethylaminoethoxy, 2‐[2‐(dimethylamino)ethoxy]ethoxy, or 2‐{2‐[2‐(dimethylamino)ethoxy]ethoxy}ethoxy on axial positions. Also, their quaternized derivatives (SiPcQ1–3) were prepared. The effect of ligand length on the biological features of water‐soluble silicon phthalocyanines (SiPcQ1–3) was investigated. The highest antimicrobial activity was obtained 32 μg/mL for SiPcQ1 against double‐distilled water, E. hirae, and E. faecalis. The growth inhibition percentages of compounds SiPcQ1–3 were obtained 100 %, 100 %, and 85.14 %, respectively. The highest biofilm inhibition activity was obtained 86.16 % for 250 mg/L SiPcQ3 against S. aureus. The E. coli growth inhibition activities of 50 mg/L compounds SiPcQ1–3 ranged from 60.17 % to 87.53 % and their activities increased (73.46 %–95.37 %) by the enhancement of the concentration. The E. coli viability inhibition activities of SiPcQ1–3 were concentration‐dependent. The DNA cleavage and binding properties of SiPcQ1–3 were studied using pBR322 DNA and CT‐DNA, respectively. Besides, the toxicity of SiPcQ1–3 was examined against the human colon cancer cell line (DLD‐1). The IC50 values of compounds (SiPcQ1–3) were obtained between 10.12 and 27.06 μM in the dark, however, these values were calculated between 12.32 and 22.17 μM under the light. SiPcQ3 exhibited the highest in vitro anticancer activity against the tested cell.
Mild Photothermal‐Stimulation Based on Injectable and Photocurable Hydrogels Orchestrates Immunomodulation and Osteogenesis for High‐Performance Bone Regeneration
Authors: Wu Minhao , Liu Huifan , Zhu Yufan , Chen Feixiang , Chen Zhe , Guo Liangyu , Wu Ping , Li Gailing , Zhang Chong , Wei Renxiong , Cai Lin 
Published: May 2023

AbstractA photoactivated bone scaffold integrated with minimally invasive implantation and mild thermal‐stimulation capability shows great promise in the repair and regeneration of irregularly damaged bone tissues. Developing multifunctional photothermal biomaterials that can simultaneously serve as both controllable thermal stimulators and biodegradable engineering scaffolds for integrated immunomodulation, infection therapy, and impaired bone repair remains an enormous challenge. Herein, an injectable and photocurable hydrogel therapeutic platform (AMAD/MP) based on alginate methacrylate, alginate‐graft‐dopamine, and polydopamine (PDA)‐functionalized Ti3C2 MXene (MXene@PDA) nanosheets is rationally designed for near‐infrared (NIR)‐mediated bone regeneration synergistic immunomodulation, osteogenesis, and bacterial elimination. The optimized AMAD/MP hydrogel exhibits favorable biocompatibility, osteogenic activity, and immunomodulatory functions in vitro. The proper immune microenvironment provided by AMAD/MP could further modulate the balance of M1/M2 phenotypes of macrophages, thereby suppressing reactive oxygen species‐induced inflammatory status. Significantly, this multifunctional hydrogel platform with mild thermal stimulation efficiently attenuates local immune reactions and further promotes new bone formation without the addition of exogenous cells, cytokines, or growth factors. This work highlights the potential application of an advanced multifunctional hydrogel providing photoactivated on‐demand thermal cues for bone tissue engineering and regenerative medicine.
Intelligent ion gels: Design, performance, and applications
Authors: Gao Naiwei , Pan Caofeng 
Published: May 2023

AbstractIntelligent ion gels, which possess highly tunable mechanical, electrical, and stimulus‐responsive properties, have emerged as powerful candidates in the field of artificial intelligence, telemedicine, and health monitoring. To enrich the functionality of ion gels, it is critical to explore the link between the structure and function of ion gels. In this review, we provide an overview of the synthesis path and functional derivatives of ion gels. The conformational relationships of ion gels have been discussed, such as the effect of structure on electrical conductivity as well as sensing properties. From the perspective of stimulus response, the role of ion gels in areas such as bionic haptics, neural devices, artificial muscles, and intelligent displays has also been explored. It is possible that smart ion gels will open up a new horizon in the upcoming smart era, especially after the current challenges are resolved.
Regulation of perovskite oxides composition for the efficient electrocatalytic reactions
Authors: Li Jianyi , Yao Yaxiong , An Li , Wu Shanshan , Zhang Nan , Jin Jing , Wang Rui , Xi Pinxian 
Published: May 2023

AbstractThe benefits of perovskite oxides include their low cost, customizable composition, ordered atomic structure, and extremely flexible electronic structure. They are the ideal substitute for precious metal catalysts in various electrocatalytic reactions. However, the initial activity of perovskite oxides is often quite limited, which is extremely related to their crystal structure and electronic structure. In this regard, component regulation is the simplest and most effective strategy to increase their stability and catalytic activity. In this review, we briefly outline the recent progress in the modulating component of perovskite oxides to enhance their catalytic properties. The outline was categorized according to the sites in the ABO3‐type perovskite structure, including A‐site, B‐site, and O‐site regulation. Finally, potential research directions aimed at modulating of perovskite oxide constituents are discussed.