bluuebunny/crossref_metadata_2025_split huggingface dataset:
Piperazine derivatives with potent drug moiety as efficient acetylcholinesterase, butyrylcholinesterase, and glutathione S‐transferase inhibitors
Authors: Karaytuğ Mahmut Onur , Balcı Neslihan , Türkan Fikret , Gürbüz Mahmut , Demirkol Mehmet Emin , Namlı Zeynep , Tamam Lut , Gülçin İlhami 
Published: November 2022

AbstractCholinesterases catalyze the breakdown of the neurotransmitter acetylcholine (ACh), a naturally occurring neurotransmitter, into choline and acetic acid, allowing the nervous system to function properly. In the human body, cholinesterases come in two types, including acetylcholinesterase (AChE; E.C.3.1.1.7) and butyrylcholinesterase (BChE; E.C.3.1.1.8). Both cholinergic enzyme inhibitors are essential in the biochemical processes of the human body, notably in the brain. On the other hand, GSTs are found all across nature and are the principal Phase II detoxifying enzymes in eukaryotes and prokaryotes. Specific isozymes are identified as therapeutic targets because they are overexpressed in various malignancies and may have a role in the genesis of other diseases such as neurological disorders, multiple sclerosis, asthma, and especially cancer cell. Piperazine chemicals have a role in many biological processes and have fascinating pharmacological properties. As a result, therapeutically effective piperazine research is becoming more prominent. Half maximal inhibition concentrations (IC50) of piperazine derivatives were found in ranging of 4.59–6.48 µM for AChE, 4.85–8.35 µM for BChE, and 3.94‐8.66 µM for GST. Also, piperazine derivatives exhibited Ki values of 8.04 ± 5.73–61.94 ± 54.56, 0.24 ± 0.03–32.14 ± 16.20, and 7.73 ± 1.13–22.97 ± 9.10 µM toward AChE, BChE, and GST, respectively. Consequently, the inhibitory properties of the AChE/BChE and GST enzymes have been compared to Tacrine (for AChE and BChE) and Etacrynic acid (for GST).
Common bile duct stone‐related parameters and their potential prognostic values for stone extraction requiring endoscopic papillary large balloon dilation
Authors: Wongkanong Chote , Patumanond Jayanton , Ratanachu‐ek Thawee , Junrungsee Sunhawit , Tantraworasin Apichat 
Published: November 2022

AbstractBackground and AimFor difficult common bile duct (CBD) stones, endoscopic sphincterotomy accompanied by endoscopic papillary large balloon dilatation (EPLBD) may be the preferred initial procedure according to the selection criteria. The purpose of this study was to determine the association between CBD stone‐related parameters and their potential prognostic values for technically difficult CBD stone extraction requiring EPLBD.MethodsWe retrospectively analyzed the data of 80 patients who underwent endoscopic retrograde cholangiopancreatography (ERCP), endoscopic biliary sphincterotomy, or the aforementioned procedures combined with EPLBD, resulting in successful CBD stone extraction in the first session from January 2018 and December 2021. The association between CBD stone‐related parameters and stone extraction requiring EPLBD was analyzed by multivariable risk regression analysis.ResultsIn multivariable analysis, the independent predictors of CBD stone extraction that required EPLBD were CBD stones larger than distal CBD diameter by >2 mm (risk ratio [RR] 2.34, 95% CI 1.30–4.19) and the presence of shaped stones (round shape RR 1.69 [95% CI 1.05–2.73]; square shape RR 2.34 [95% CI 1.24, 4.44] vs oval shape).ConclusionEndoscopic CBD stone removal is technically difficult in patients with stones larger than 2 mm in diameter in comparison to the distal CBD diameter or round or square‐shaped stones.
Application of nested multiplex polymerase chain reaction respiratory and pneumonia panels in children with severe community‐acquired pneumonia
Authors: Yen Ting‐Yu , Chen Jian‐Fu , Lu Chun‐Yi , Wu En‐Ting , Wang Ching‐Chia , Lu Frank Leigh , Huang Li‐Min , Chang Luan‐Yin 
Published: November 2022

AbstractCommunity‐acquired pneumonia (CAP) is a serious clinical concern. A lack of accurate diagnosis could hinder pathogen‐directed therapeutic strategies. To solve this problem, we evaluated clinical application of nested multiplex polymerase chain reaction (PCR) in children with severe CAP. We prospectively enrolled 60 children with severe CAP requiring intensive care between December 2019 and November 2021 at a tertiary medical center. Nested multiplex PCR respiratory panel (RP) and pneumonia panel (PP) were performed on upper and lower respiratory tract specimens. We integrated standard‐of‐care tests and quantitative PCR for validation. The combination of RP, PP, and standard‐of‐care tests could detect at least one pathogen in 98% of cases and the mixed viral‐bacterial detection rate was 65%. The positive percent agreement (PPA), and negative percent agreement (NPA) for RP were 94% and 99%; the PPA and NPA for PP were 89% and 98%. The distribution of pathogens was similar in the upper and lower respiratory tracts, and the DNA or RNA copies of pathogens in the lower respiratory tract were equal to or higher than those in the upper respiratory tract. PP detected bacterial pathogens in 40 (67%) cases, and clinicians tended to increase bacterial diagnosis and escalate antimicrobial therapy for them. RP and PP had satisfactory performance to help pediatricians make pathogenic diagnoses and establish therapy earlier. The pathogens in the upper respiratory tract had predictive diagnostic values for lower respiratory tract infections in children with severe CAP.
Combining Cryogel Architecture and Macromolecular Crowding‐Enhanced Extracellular Matrix Cues to Mimic the Bone Marrow Niche
Authors: Martínez‐Vidal Laura , Magno Valentina , Welzel Petra B. , Friedrichs Jens , Bornhäuser Martin , Werner Carsten 
Published: November 2022

AbstractTransplantation of hematopoietic stem cells (HSCs)—rare cells that can self‐renew and differentiate into cells of all hematopoietic lineages—is an important treatment option for patients with hematologic diseases. Key to the regenerative potential of HSCs is their natural in vivo microenvironment—the bone marrow niche—but in vitro engineering approaches to recapitulate the biochemical and biophysical properties of the bone marrow niche are still insufficiently explored. Herein, modular macroporous cryogels, mimicking the natural 3D architecture of trabecular bone, are seeded with human bone marrow‐derived mesenchymal stromal cells and decellularized to generate tissue‐specific extracellular matrix (ECM)‐decorated scaffolds. To recapitulate the physiological concentration of biomolecules in bone marrow, the cell culture medium is supplemented with macromolecular crowders that modulate the composition, ultrastructure, and mechanical properties of the cell‐deposited ECM. The ECM‐coated cryogel scaffolds generated under crowding conditions exhibit physicochemical properties similar to those of the endosteal niche of the bone marrow. The ECM‐functionalized cryogels presented could be used in the future for the ex vivo expansion of HSCs for transplantation and may also aid in the development of more realistic hematological disease models.
Electric vehicle charge station layout planning: A case study in Istanbul Technical University campus
Authors: Muyesseroglu Arzu , Argun Irem Duzdar , Kayakutlu Gulgun 
Published: November 2022

AbstractWhile the popularity of electric vehicles is rising, several studies have been conducted on the challenges surrounding charging stations. The choice of charging station layout planning is evaluated in this study, which is based on available parking capacity and potential vehicle users on campus. Its goal is to figure out how various data and different coverage methods affect optimal selection. These models aim to serve the regions within a specified distance with the least possible number of stations. The data are collected with geographic information system, and the Voronoi diagram is used to solve the models. The findings of the models have been compared, and station sites that were deemed suitable for the campus have been determined. Evaluation of three models allows the most appropriate solution for the campus to set up five stations and use a 700‐m service distance. In this study, an opportunity was created to observe how the added parameters affect the optimization model and the results.
New insight into the application of fluorescence platforms in tumor diagnosis: From chemical basis to clinical application
Authors: Li Yanchen , Chen Qinhua , Pan Xiaoyan , Lu Wen , Zhang Jie 
Published: November 2022

AbstractEarly and rapid diagnosis of tumors is essential for clinical treatment or management. In contrast to conventional means, bioimaging has the potential to accurately locate and diagnose tumors at an early stage. Fluorescent probe has been developed as an ideal tool to visualize tumor sites and to detect biological molecules which provides a requirement for noninvasive, real‐time, precise, and specific visualization of structures and complex biochemical processes in vivo. Rencently, the development of synthetic organic chemistry and new materials have facilitated the development of near‐infrared small molecular sensing platforms and nanoimaging platforms. This provides a competitive tool for various fields of bioimaging such as biological structure and function imaging, disease diagnosis, in situ at the in vivo level, and real‐time dynamic imaging. This review systematically focused on the recent progress of small molecular near‐infrared fluorescent probes and nano‐fluorescent probes as new biomedical imaging tools in the past 3–5 years, and it covers the application of tumor biomarker sensing, tumor microenvironment imaging, and tumor vascular imaging, intraoperative guidance and as an integrated platform for diagnosis, aiming to provide guidance for researchers to design and develop future biomedical diagnostic tools.
A novel dual‐band miniaturized frequency selective surface with high selectivity
Authors: Zhang Yan , Guo Xiue , Xu Juan 
Published: November 2022

AbstractIn this paper, a novel dual‐band multilayer frequency selective surface (FSS) with high selectivity and miniaturization characteristics is proposed. The FSS consists of a top and bottom resonant layer and an intermediate coupling layer. The top and bottom resonant layers provide dual‐band passbands, and the cross‐coupling between the three layers makes the structure produce four transmission zeros (TZs) distributed two‐by‐two on both sides of the passband to improve the sharp roll‐off characteristics of the structure. Use bent structures in the top and bottom layers of the cell design to achieve miniaturization of the elements. FSS provides stable performance in incident angles from 0° to 45° with different polarizations of incident waves (TE and TM wave). The lower band of FSS works at 9.1 GHz and the higher band works at 10.26 GHz, the cell size of FSS is , FSS samples were made and tested, and the test results fit well with the simulation results.
Two‐phase model for the excavation analysis in partially saturated soft soils using the particle finite element method
Authors: Leon Bal Abdiel Ramon , Meschke Günther 
Published: November 2022

AbstractA two‐phase velocity‐pressure stabilized formulation is proposed for the numerical analysis of mechanized excavations in partially saturated soft soils using the Particle Finite Element Method (PFEM). The fully coupled formulation is based on the theory of porous media in association with the Soil Water Characteristic Curve and the porosity‐dependent Kozeni‐Carman model for the realistic estimation of the soil permeability. The combination of the PFEM methodology, characterized by a global re‐meshing strategy equipped with a new adaptive mesh refinement scheme for the resolution of strain localization zones in the ground, with a hypoplastic constitutive model for the description of the non‐linear behavior of the deformable soil skeleton, allows for the modeling of very large deformations, as required for excavation simulations. The PFEM model is validated based on selected geotechnical benchmark problems concerned with fully and partially saturated soil specimens. The model is further applied to computational re‐analyses of excavation tests involving a single cutting tool moving in a sandbox. The reaction force‐tool displacement curve for the excavation tool as well as the evolution of the deformed topology of the sand including the formation of shear zones obtained from the computational model are compared with respective experimental observations. Parametric investigations aimed at elucidating the influence of selected geotechnical parameters on the excavation process are also carried out. Finally, the suitability of the proposed PFEM‐based numerical strategy for the modeling of 3D excavation problems is demonstrated by means of 3D PFEM simulations in fully saturated sand.
Linearized compact difference methods for solving nonlinear Sobolev equations with distributed delay
Authors: Tan Zengqiang , Ran Maohua 
Published: November 2022

AbstractThis paper deals with the numerical computation and analysis for nonlinear Sobolev equations with distributed delay. We present linearized compact difference methods for solving one‐ and two‐dimensional cases, respectively. The solvability, convergence and stability of the methods are derived and it is shown under some suitable conditions that the methods have second‐order accuracy in time and fourth‐order accuracy in space. Moreover, with several numerical examples, the theoretical accuracy and computational effectiveness of the proposed methods are confirmed.
Atractylenolide‐1 affects glycolysis/gluconeogenesis by downregulating the expression of TPI1 and GPI to inhibit the proliferation and invasion of human triple‐negative breast cancer cells
Authors: Xu Haiying , Li Lanqing , Qu Linghang , Tu Jiyuan , Sun Xiongjie , Liu Xianqiong , Xu Kang 
Published: November 2022

AbstractAtractylenolide‐1 (AT‐1) is a major octanol alkaloid isolated from Atractylodes Rhizoma and is widely used to treat various diseases. However, few reports have addressed the anticancer potential of AT‐1, and the underlying molecular mechanisms of its anticancer effects are unclear. This study aimed to assess the effect of AT‐1 on triple‐negative breast cancer (TNBC) cell proliferation and migration and explore its potential molecular mechanisms. Cell invasion assays confirmed that the number of migrating cells decreased after AT‐1 treatment. Colony formation assays showed that AT‐1 treatment impaired the ability of MDA‐MB‐231 cells to form colonies. AT‐1 inhibited the expression of p‐p38, p‐ERK, and p‐AKT in MDA‐MB‐231 cells, significantly downregulated the proliferation of anti‐apoptosis‐related proteins CDK1, CCND1, and Bcl2, and up‐regulated pro‐apoptotic proteins Bak, caspase 3, and caspase 9. The gas chromatography–mass spectroscopy results showed that AT‐1 downregulated the metabolism‐related genes TPI1 and GPI through the glycolysis/gluconeogenesis pathway and inhibited tumor growth in vivo. AT‐1 affected glycolysis/gluconeogenesis by downregulating the expression of TPI1 and GPI, inhibiting the proliferation, migration, and invasion of (TNBC) MDA‐MB‐231 cells and suppressing tumor growth in vivo.
Synthesis, α‐glucosidase Inhibition, in silico Pharmacokinetic, and Docking Studies Of Thieno[2,3‐b]Quinoline‐Acetamide Derivatives as New Anti‐Diabetic Agents
Authors: Mohammadi‐Khanaposhtani Maryam , Noori Milad , Valizadeh Yousef , Dastyafteh Navid , Ghomi Minoo Khalili , Mojtabavi Somayeh , Faramarzi Mohammad Ali , Hosseini Samanesadat , Biglar Mahmood , Larijani Bagher , Rastegar Hossein , Hamedifar Haleh , Mirzazadeh Roghieh , Mahdavi Mohammad 
Published: November 2022

AbstractIn this work, novel anti‐α‐glucosidase agents, thieno[2,3‐b]quinoline‐acetamide derivatives 5 a–m have been designed and synthesized. These compounds were evaluated in vitro against yeast α‐glucosidase. Most of the title new compounds exhibited a significant α‐glucosidase inhibitory activity in comparison to positive control, acarbose. In this regards, the most potent compound amongst the tested compounds, compound 5 k, with IC50=48.66±0.02 μM was 15.6‐fold more potent than acarbose. Compound 5 k was a competitive inhibitor into α‐glucosidase and interacted with important residues of the active site of this enzyme. Three most potent compounds among the newly synthesized compounds 5 j–k and 5 m were evaluated in silico in term of the oral druglikeness and pharmacokinetic properties. The obtained results predicted that these compounds had satisfactory oral druglikeness and pharmacokinetic properties.
Construction of Graphitic Carbon Nitride Coating for Efficient Degradation of Ozone and Ozone Precursor
Authors: Zhao Ziquan , Hao Yaru , Song Xijia , Deng Zhaoqi 
Published: November 2022

AbstractIn this study, the aqueous solution of graphitic carbon nitrides (g‐CN) is investigated as a green additive for the waterborne coating to the decompose ozone and its precursors (ozone precursors: total volatile organic compounds and oxynitride). The physical properties of the waterborne coating have been improved through a facile interface interaction between g‐CN and waterborne coating. The results of SEM images, XRD patterns and FTIR spectrum indicated that the interface between g‐CN sheets and waterborne coating is strengthened which gives rise to enhancement of interfacial effect, resulting in consequent improvement of the physical properties. Meanwhile, the coating with g‐CN exhibited excellent absorption ability toward visible light. As a result, the optimized waterborne coating with 0.1 wt % g‐CN (C‐0.1CN) casts the extraordinary photocatalytic degradation efficiency of ozone (99.5 v/v%). Moreover, the C‐0.1CN can contribute degradation efficiency up to 75.3 % toward the total volatile organic compounds (TVOC) under the simulated indoor lighting condition for 48 hours. These findings provide a new way towards waterborne coating design for achieving high‐efficiency photocatalytic indoor pollution degradation.
Metal‐free Synthesis of Trisubstituted Pyrazoles by the Reaction Between Hydrazones and Activated Olefins
Authors: Bhaskaran Rasmi P. , Sreelekha Mariswamy K. , Babu Beneesh P. 
Published: November 2022

AbstractThe reactivity of various activated olefins towards the [3+2] annulation with hydrazones (aza‐enamines) has been studied. Nitroolefins, methyl vinyl ketone, acrylates and acrylamide were found to react with aldehyde hydrazones of different electronic nature to generate 1,3,5‐/1,3,4–trisubstituted pyrazoles selectively. A detailed optimization study was conducted to derive the best condition for the annulation reaction of different olefin partner and the intermediate dihydropyrazole is also identified.
A Layered Electrochemical Sensor for Epinephrine Based on a Nitrogen‐Doped Reduced Graphene Oxide‐ZnFe2O4/β‐Cyclodextrin‐Modified Platinum Electrode
Authors: Sethu Madhavan Arya , Kakkaraparambil Vijayan Jishnu , Rajith Leena 
Published: November 2022

AbstractA novel nanocomposite of nitrogen‐doped reduced graphene oxide‐ZnFe2O4/β‐cyclodextrin (NRGO‐ZnFe2O4/β‐CD) was synthesised for electrocatalytic applications on platinum electrode. The structural and morphological characterisation of the synthesised nanocomposite was carried out using FTIR, XRD, EDAX, FESEM, HRTEM etc. The electrochemical characterisation was performed using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). NRGO‐ZnFe2O4/β‐CD proved to be an excellent electrocatalyst for the electrochemical detection of epinephrine on platinum electrode and the optimum pH for the response was found to be 7. The electrochemical characteristics of the oxidation of epinephrine was found to be quasi reversible and diffusion controlled with charge transfer coefficient and diffusion coefficient of 0.55 and 1.03×10−5 cm2/s respectively. Detection limit in the micromolar range of epinephrine was achieved with specific recognition in presence of other structurally similar catecholamines like norepinephrine and dopamine even in their ten‐fold excess concentration at β‐CD/NRGO‐ZnFe2O4/Pt electrode and the electrode exhibited good repeatability, excellent reproducibility and stability for the oxidation of epinephrine. Recognition of epinephrine with high selectivity could be attained in presence of other common substances present in biological fluids.
Using HCOONH4 as a Reductant and Nitrogen Source in Converting PhCHO to Imine via a Continuous Condensation‐Reduction Mechanism
Authors: Li Siqi , Lu Jianmin , Huang Zhipeng , Xu Shutao , Zhang Chaofeng , Wang Feng 
Published: November 2022

AbstractHerein, we present a novel method to synthesize imine and its derivatives using aromatic aldehydes and HCOONH4 in DMSO. HCOONH4 functions as both the nitrogen source and hydrogen source. And a continuous condensation‐reduction (CCCR) mechanism was proposed. Moreover, the HMQC spectrum indicated the generation of (PhCH=N)2CHPh, which was the key intermediate of the CCCR route.
Layered Double Hydroxides Used in the Construction of Photoisomeric Space for Organic Dye Molecules
Authors: Liu Jing , Bai Yang , Liang Kaixiang , Kong Lingwei , Wang Ruixing , Shi Wenying , Lu Chao 
Published: November 2022

AbstractThe application of photoisomerization in the storage of electron energy, molecular actuators, and medical fields has attracted extensive attention. However, the difficult regulation of the photoisomeric process hinders its practical application. Here, we provide organic molecule (acid orange, AO7) with two different nano‐confined spaces by changing the interlayer spacing of layered double hydroxide (LDH). The obtained host‐guest AO7‐LDHs‐1 and AO7‐LDHs‐2 complexes show distinctly different photoisomeric behaviors. When the LDH spacing is 1.66 nm, the relative isomerization rate of AO7 is 34 %, while when the LDH spacing is 1.13 nm, the relative isomerization rate of AO7 is 13 %. This is because the isomerization rate of AO7 molecule can be reasonably controlled by the size of LDH nano‐microenvironment. This work provides a reference for the further study of the effect of nano‐space on the photoisomeric process of organic molecules.
A New Mixed‐Mode Stationary Phase Derived from [2‐(3,4‐epoxycyclohexyl)ethyl]trimethoxysilane as a Coupling Reagent and Its RPLC/HILIC/IEC Applications
Authors: Yaşar Mumin M. , Aral Hayriye , Sunkur Murat , Aral Tarık 
Published: November 2022

AbstractA new mixed‐mode stationary phase derived from [2‐(3,4‐epoxycyclohexyl)ethyl]trimethoxysilane as a coupling reagent was synthesized and evaluated for hydrophilic‐interaction/reversed‐phase/ion‐exchange HPLC. This phase bearing polar groups as well as nonpolar aliphatic and aromatic groups was synthesized starting from [2‐(3,4‐epoxycyclohexyl)ethyl]trimethoxysilane and isoleucine amino acid, and it was characterized by elemental analysis, FTIR spectroscopy, SEM, and solid‐state 13C NMR. The new stationary phase offers hydrophilic interaction, reversed‐phase and ion‐exchange functionalities, which facilitate the simultaneous separation of polar, nonpolar, and ionic compounds. Several polar nonpolar compounds were tested to investigate the retention properties of the new phase. Seven water‐soluble vitamins and five nucleobases/nucleosides were tested to investigate the effectiveness of the new phase in HILIC mode. Six water‐soluble vitamins were separated successfully by gradient elution and the five nucleobases/nucleosides were separated by isocratic elution. Numerous polar and nonpolar small compounds were tested under RPLC conditions, while six selected benzoic acids were tested for the IEC properties of the new phase, and these were also separated successfully. Quantitative structure‐activity relationships between the test compounds and the new stationary phase are discussed according to logP, logD and pKa values.