bluuebunny/crossref_metadata_2025_split huggingface dataset:
Removal of copper and cobalt ions from aqueous solutions using starch‐xanthate based novel smart hydrogel via adsorption technique: Swelling, adsorption isotherm, and kinetic study
Authors: Chaurasiya Arbind , Pande Poorn Prakash , Shankar Ravi , Dey Kajal Kumar , Kumar Praveen 
Published: August 2024

AbstractThe concentration of harmful metal ions is growing globally, which raises the risk to both human and ecological health. The use of “adsorption” technique has been found to be very effective, for the removal of toxic metal ions. Among other things, hydrogels as an adsorbent work effectively for the removal of toxic metal ions and other aquatic pollutants. The newly designed potato starch‐xanthate (SX) based hydrogel (SX‐modified hydrogel) has been synthesized using a mixture of acrylamide (AAm) and acrylic acid (AA) monomers, with the help of free‐radical graft copolymerization technique. The synthesized SX‐modified hydrogel has been characterized by several analytical techniques, namely, UV–visible (UV–vis) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, gel permeation chromatography (GPC), thermogravimetric (TG) analysis, point of zero charge (ΔpHPZC) analysis, x‐ray diffraction (XRD) analysis, and scanning electron microscope (SEM) analysis. The main objective of the current work is to remove the Cu2+ and Co2+ ions from wastewater using SX‐modified hydrogel as well as to study the swelling and water retention properties of the SX‐modified hydrogel. The swelling ratio of SX‐modified hydrogel has been found to be 312.31, 374.01, and 410.20 g/g at optimum pH 10, temperature 35°C, time 675 min in gray wastewater, tap water, and distilled water, respectively. The maximum percentage removal of Cu2+ and Co2+ ions by SX‐modified hydrogel has been found as 97.7% and 94.2%, respectively, at optimum conditions. The Langmuir isotherm model fits best with the experimental data, with maximum adsorption capacity of 515.46 mg/g for Cu2+ and 483.09 mg/g for Co2+ ions, respectively. The kinetic studies suggest that the adsorption process is governed by the second order kinetic model with rate constant of 2.06 × 10−4 g/(mg min) for Cu2+ and 1.79 × 10−4 g/(mg min) for Co2+ ions, respectively. The negative ΔG values suggest the adsorption process is spontaneous in nature. In addition, the positive ΔH values support the adsorption process is endothermic in nature. The SX‐modified hydrogel showed a remarkable desorption efficiency with 96.7% for Cu2+ and 92.5% for Co2+ ions and reusability for four consecutive adsorption–desorption cycles. It can be concluded that the SX‐modified hydrogel has showed an effective, economical, easy, low energy consuming, and significant potential in the treatment of wastewater containing heavy metal ions.
Influence of curing temperature on shape memory performance of polyethylenimine‐based shape memory polymer coated cotton fabric
Authors: Garg Hema , Mohanty Jayashree , Das Apurba , Tripathi Bijay P. , Kumar Bipin 
Published: August 2024

AbstractThis research investigates the effect of curing temperature on the shape memory behavior and coating adhesion of polyethylenimine‐based shape memory polyurethane (PEI‐SMPU) to cotton fabric. The study utilized a dip‐coating process to apply a PEI‐SMPU solution to cotton fabrics, followed by curing at temperatures ranging from 100 to 160°C. Scanning electron microscopy confirmed uniform coating, and significant adhesion, and surface roughness was substantially reduced as evidenced by atomic force microscopy. The fabric's shape memory performance improved with increasing cure temperature, exhibiting excellent recovery (90%) at lower SMPU concentrations (1%). The results indicated that the tear strength of the fabric decreased with increasing curing temperature, attributed to constrained yarn mobility due to increased SMPU cross‐linking. The study successfully correlates the thermal and mechanical properties of SMPU‐coated fabrics with the interaction between SMPU and fabric, emphasizing the preservation of their laundering durability after multiple wash cycles. These findings contribute to the development of smart textiles with improved performance and longevity.
Room temperature luminescence of 1,N2‐etheno‐2‐aminopurine in poly (vinyl alcohol) films
Authors: Wielgus‐Kutrowska Beata , Wierzchowski Jacek , Stachelska‐Wierzchowska Alicja , Krasowska Joanna , Lee Bong , Pham Danh , Alexander Emma , Sagoo Rajveer , Gryczynski Zygmunt , Gryczynski Ignacy 
Published: August 2024

AbstractWe studied spectral properties of 1,N2‐etheno‐2‐aminopurine after immobilization in poly (vinyl alcohol) films. The absorption spectrum of 1,N2‐ε2APu consists of two peaks centered at 300 and 370 nm, and the fluorescence spectrum has maximum at about 460 nm. The fluorescence quantum efficiency is 62%. The fluorescence anisotropy reaches a value of 0.3 at longer wavelengths, while it is low at shorter wavelengths (corresponding to the second single excited state). The 1,N2‐ε2APu has a relatively long fluorescence lifetime of about 16 ns and a noticeable room temperature phosphorescence with a lifetime of about 220 ms. A broad phosphorescence emission band (425–675 nm) is centered at about 530 nm and markedly overlaps with fluorescence at shorter wavelengths. Surprisingly, the phosphorescence excitation spectrum of 1,N2‐ε2APu‐doped poly (vinyl alcohol) film differs from the absorption and fluorescence excitation spectra. The strongest room temperature phosphorescence excitation is about 335 nm. At longer excitation wavelengths, above 450 nm, where fluorescence cannot be excited, a triplet excitation is still possible. The 1,N2‐ε2APu phosphorescence anisotropy spectra confirm direct triplet state excitation. The ability to excite molecules at long wavelengths can find applications in the study of biological molecules that are unstable when excited at high energies.
A time‐efficient computational binding affinity estimation protocol with utilization of limited experimental data: A case study for adenosine receptor
Authors: Cho Ilkwon , Moon Sunghyun , Cho Kwang‐Hwi 
Published: August 2024

AbstractEstimating binding affinity is a crucial step in the drug discovery process. In computer‐aided drug design, this challenge can be divided into two main tasks: finding the correct binding pose and estimating the binding free energy. In this study, we propose a new binding affinity estimation protocol that utilizes molecular docking with limited experimental data and estimates binding affinity using molecular dynamics simulation. A custom scoring function was employed during docking to identify an improved initial binding pose, and the linear interaction energy method with an optimized coefficient was used for binding affinity estimation. The protocol was validated with an external data set and applied to modafinil and its derivatives to rank their binding affinities to adenosine A2A receptors (ADORA2A) as a case study. This approach could be both time‐efficient and valuable for computational drug discovery, particularly when experimental data is limited.
Revealing the optimal traditional processing methods and its protective effects against febrile seizures of Arisaema cum bile
Authors: Zhang Meng‐Meng , Wu Xu , Wang Jing , Zou Ting , He Su‐Rong , Zhang Qiao , Song Yi‐Jun , Wang Chang‐Li , Zhao Chong‐Bo 
Published: August 2024

AbstractArisaema cum bile (known as Dan Nanxing in Chinese, DNX) is a herbal medicine used for treating febrile seizure (FS), which commonly prepared by using Arisaematis Rhizoma and animal bile. This study was designed to explore the optimal processing time of DNX and its potential mechanism on the anti‐FS effect. A total of 17 volatile organic compounds (VOCs) were the characteristic ones to distinguish different fermentation stages of DNX by using gas chromatography–ion mobility spectrometry (GC‐IMS), such as 2‐heptanone monomer, and heptanal monomer. DNX with fermentation for 3 months had an obvious pattern of VOCs with others, which could be regarded as the optimal fermentation time. The Enterococcus and Staphylococcus might be the core bacteria on the production of VOCs. Additionally, DNX (2.8 g/kg, p.o.) reversed hot water bath‐induced FSs of rats, as indicated by increased seizure latency and decreased seizure duration time. It also prevented hippocampal neuronal loss, increased GABAAR, and decreased GRIA1 expression. At the genus level, relative abundance of Enterococcus and Akkermansia were enriched after DNX treatment. These findings suggested that fermentation for 3 months might be the optimal process time for DNX, and DNX possess an anti‐FS effect through regulating neurotransmitter disorder and gut microbiota.
FGFR3 alterations in bladder cancer: Sensitivity and resistance to targeted therapies
Authors: Noeraparast Maxim , Krajina Katarina , Pichler Renate , Niedersüß‐Beke Dora , Shariat Shahrokh F , Grünwald Viktor , Ahyai Sascha , Pichler Martin 
Published: August 2024

AbstractIn this review, we revisit the pivotal role of fibroblast growth factor receptor 3 (FGFR3) in bladder cancer (BLCA), underscoring its prevalence in both non‐muscle‐invasive and muscle‐invasive forms of the disease. FGFR3 mutations in up to half of BLCAs play a well‐established role in tumorigenesis, shaping distinct tumor initiation patterns and impacting the tumor microenvironment (TME). Emphasizing the importance of considering epithelial‐mesenchymal transition profile and TME status, we revisit their relevance in predicting responses to immune checkpoint inhibitors in FGFR3‐mutated BLCAs. This writing highlights the initially promising yet transient efficacy of the FGFR inhibitor Erdafitinib on FGFR3‐mutated BLCA, stressing the pressing need to unravel resistance mechanisms and identify co‐targets for future combinatorial studies. A thorough analysis of recent preclinical and clinical evidence reveals resistance mechanisms, including secondary mutations, epigenetic alterations in pathway effectors, phenotypic heterogeneity, and population‐specific variations within FGFR3 mutational status. Lastly, we discuss the potential of combinatorial treatments and concepts like synthetic lethality for discovering more effective targeted therapies against FGFR3‐mutated BLCA.
Diagnosis, treatment, and prognosis of adult pancreatoblastoma
Authors: Yuan Jiaqian , Guo Yong , Li Yan 
Published: August 2024

AbstractBackgroundPancreatoblastoma (PB) is one of the rare malignant tumors that typically occurs in children. Cases of PB in adults are highly unusual. This disease often presents with subtle symptoms and lacks characteristic clinical manifestations, leading to diagnostic challenges.ObjectiveThis study integrates the relevant literature on adult PB, conducting data analysis on clinical features, laboratory and imaging results, pathological characteristics, and treatments according to inclusion and exclusion criteria. Kaplan–Meier univariate analysis and Log‐rank tests are employed to analyze survival data from adult PB follow‐up, exploring factors influencing prognosis.ResultsA total of 65 articles were included, encompassing 103 cases of adult PB. The average age of PB patients was 41.78 years (range 19–81 years), and the male‐to‐female ratio was 1.06:1. Patients frequently presented with abdominal pain as the initial symptom. Laboratory results lacked specificity and imaging findings often presented as large, well‐defined masses. PB exhibited distinctive pathological features, including squamous corpuscles (n = 76, 89.41%) and acinar differentiation (n = 34, 40%), with frequent positive expression of Trypsin, Chymotrypsin, and AACT (Alpha‐1‐Antichymotrypsin). APC (Adenomatous Polyposis Coli) gene mutation was the most common molecular alteration in adult PB. During the follow‐up period, 43.59% of patients died (range 3 days to 348 months). The primary factors affecting prognosis were the presence of metastasis (χ2 = 3.996, p = 0.046) and incomplete surgical resection (χ2 = 5.586, p = 0.018), with mean survival times of 48 months and 27 months, respectively.ConclusionsPB in adults is an invasive tumor. The key to distinguishing PB from other pancreatic tumors lies in recognizing its unique pathological feature, the squamous corpuscles. Timely and complete surgical resection is the preferred treatment following diagnosis. Patients with incomplete resection or the presence of lymph nodes or (and) distant metastases have a poor prognosis.
Racial differences in treatment adherence and response to acupuncture and cognitive behavioral therapy for insomnia among Black and White cancer survivors
Authors: Liou Kevin T. , Garland Sheila N. , Meghani Salimah H. , Kaye Nadia M. , Thompson Embree , Li Q. Susan , Mao Jun J. 
Published: August 2024

AbstractBackgroundRacial disparities in sleep are well‐documented. However, evidence‐based options for addressing these disparities are lacking in cancer populations. To inform future research on sleep interventions, this study aims to understand racial differences in treatment responses to acupuncture and cognitive behavioral therapy for insomnia (CBT‐I) among Black and White cancer survivors.MethodsWe conducted a secondary analysis of a comparative effectiveness trial evaluating acupuncture versus CBT‐I for insomnia in cancer survivors. We compared insomnia severity, sleep characteristics, and co‐morbid symptoms, as well as treatment attitudes, adherence, and responses among Black and White participants.ResultsAmong 156 cancer survivors (28% Black), Black survivors reported poorer sleep quality, longer sleep onset latency, and higher pain at baseline, compared to White survivors (all p < 0.05). Black survivors demonstrated lower adherence to CBT‐I than White survivors (61.5% vs. 88.5%, p = 0.006), but their treatment response to CBT‐I was similar to white survivors. Black survivors had similar adherence to acupuncture as white survivors (82.3% vs. 93.4%, p = 0.16), but they had greater reduction in insomnia severity with acupuncture (−3.0 points, 95% CI −5.4 to 0.4, p = 0.02).ConclusionThis study identified racial differences in sleep characteristics, as well as treatment adherence and responses to CBT‐I and acupuncture. To address racial disparities in sleep health, future research should focus on improving CBT‐I adherence and confirming the effectiveness of acupuncture in Black cancer survivors.
DFT, Molecular Docking, ADME, and Cardiotoxicity Studies of Persuasive Thiazoles as Potential Inhibitors of the Main Protease of SARS‐CoV‐2
Authors: Khan Muhammad Asim , Mutahir Sadaf , Jabar Gauhar , Wenwei Zhao , Tariq Muhammad Atif , Almehizia Abdulrahman A. , Mustafa Muhammad 
Published: August 2024

AbstractThis study explores the capability of thiazoles as potent inhibitors of SARS‐CoV‐2 Mpro. Seventeen thiazoles (1–17) were screened for their linking affinity with the active site of SARS‐CoV‐2 Mpro and compared with the FDA‐recommended antiviral drugs, Remdesivir and Baricitinib. Density Functional Theory (DFT) calculations provided electronic and energetic properties of these ligands, shedding light on their stability and reactivity. Molecular docking analysis revealed that thiazole derivatives exhibited favorable linking affinities with various functional sites of SARS‐CoV‐2 proteins, including spike receptor‐linking zone, nucleocapsid protein N‐terminal RNA linking zone, and Mpro. Notably, compounds 3, 10, and 12 displayed the best interaction with 6LZG as compared to FDA‐approved antiviral drugs Remdesivir and Baricitinib, while compounds 1, 10, and 8 exhibited strong linking with 6 M3 M and also better than Remdesivir and Baricitinib. Additionally, compounds 3, 1, and 6 showed promising interactions with 6LU7 but only compound 3 performed better than Baricitinib. An ADME (Absorption, Distribution, Metabolism, and Excretion) study provided insights into the pharmacokinetics and drug‐likeness of these compounds, with all ligands demonstrating good physicochemical characteristics, lipophilicity, water solubility, pharmacokinetics, drug‐likeness, and medicinal chemistry attributes. The results suggest that these selected thiazole derivatives hold promise as potential candidates for further drug development.
A case report of tuberculous meningitis resulting in irreversible visual impairment due to delayed diagnosis
Authors: Lin Erika Lee‐Yu , Gulhane Sai Anil , Kumar Majety Sameer , Lakkamaneni Sai Teja , Lekkala Prudhvi 
Published: August 2024

Key Clinical MessagePrompt diagnosis of tuberculous meningitis (TBM) is crucial to prevent severe complications like cranial nerve involvement and irreversible visual impairment. Early suspicion and intervention are essential, especially in tuberculosis‐endemic regions. Rapid initiation of anti‐tuberculosis therapy and vigilant monitoring for complications, such as hydrocephalus, improve patient outcomes and prevent long‐term disabilities.AbstractThis case study provides a comprehensive overview of the difficulties associated with predicting and managing tuberculous meningitis (TBM). The predictive aspect is hindered by the subacute nature of TBM, featuring a prodromal phase lasting 7–10 days, followed by manifestations like severe headaches, altered mental status, stroke, hydrocephalus, and cranial neuropathies. Additionally, vision loss is a disabling complication. All components of the visual pathway, especially the optic nerve and optic chiasma, are frequently and dominantly affected. While antibiotics can promptly resolve meningitis in most cases, approximately 10% of infections progress to chronic meningitis, with tuberculosis meningitis being the most common form. Our patient initially presented with nonspecific symptoms, which later evolved into symptoms that indicate viral meningitis and was started on empirical therapy. Subsequently, due to clinical suspicion of tuberculosis meningitis and persistent symptoms despite treatment, she was placed in anti‐tuberculosis therapy (ATT) but unfortunately developed complications such as hydrocephalus and blindness. To address the hydrocephalus, a Ventriculo‐Peritoneal shunt was implanted. Despite delayed treatment and diagnosis, most of her symptoms resolved except for blindness, for which there was only partial recovery.
Gas Characterization‐ and Mass Spectrometry‐Tools for the Analysis of Aging in Electrical Double Layer Capacitors: State‐of‐the‐Art and Future Challenges
Authors: Kost Rebecka , Balducci Andrea 
Published: August 2024

AbstractAging processes occurring in electrical double layer capacitors greatly influence the lifetime of these energy storage devices and an increasing attention has been directed toward their understanding. While most studies approach this topic based on the overall electrochemical performance of the cell (such as enhanced resistance) or the materials degradation, addressing its failure causes at the electrolyte level is of great importance. Doing so, more precise strategies to improve the lifetime and performance can be developed for a wide range of applications. This article provides an overview of the current state of separation tools regarding gas chromatography and detection tools in various combinations with mass spectrometry. The aim of this work is to present the present state of the current knowledge on aging processes, with a focus on gas chromatography and mass spectrometry. Then, an outlook onto the challenges as well as ideas of combining methods is given. Here, the work offers a judgement into future challenges.
A Novel Automated System for Early Diabetic Retinopathy Detection and Severity Classification
Authors: Ainapur Santoshkumar S , Patil Virupakshappa 
Published: August 2024

ABSTRACTDiabetes is a common and serious global disease that damages blood vessels in the eye, leading to vision loss. Early and accurate diagnosis of this issue is crucial to reduce the risk of visual impairment. The typical deep learning (DL) methods for diabetic retinopathy (DR) grading are often time‐consuming, resulting in unsatisfactory detection performance due to inadequate representation of lesion features. To overcome these challenges, this research proposes a new automated mechanism for detecting and classifying DR, aiming to identify DR severities and different stages. To figure out and capture feature characteristics from DR samples, a conjugated attention mechanism and vision transformer are utilized within a collective net model, which automatically generates feature maps for diagnosing DR. These extracted feature maps are then fused through the feature fusion function in a fused attention net model, calculating attention weights to produce the most powerful feature map. Finally, the DR cases are identified and discriminated using the kernel extreme learning machine (KELM) model. For evaluating DR severity, our work utilizes four different benchmark datasets: APTOS 2019, MESSIDOR‐2 dataset, DiaRetDB1 V2.1, and DIARETDB0 datasets. To illuminate data noise and unwanted variations, two preprocessing steps are carried out, which include contrast enhancement and illumination correction. The experimental results evaluated using well‐known indicators demonstrate that the suggested method achieves a higher accuracy of 99.63% compared to other baseline methods. This research contributes to the development of powerful DR screening techniques that are less time‐consuming and capable of automatically identifying DR severity levels at a premature level.
Substrate‐Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF
Authors: Baumgarten Janosch , Schneider Philipp , Thiemann Marie , Zimmermann Moritz , Diederich Christina , Blankenfeldt Wulf , Kunick Conrad 
Published: August 2024

AbstractThe phenazine pyocyanin is an important virulence factor of the pathogen Pseudomonas aeruginosa, which is on the WHO list of antibiotic resistant “priority pathogens”. In this study the isomerase PhzF, a key bacterial enzyme of the pyocyanin biosynthetic pathway, was investigated as a pathoblocker target. The aim of the pathoblocker strategy is to reduce the virulence of the pathogen without killing it, thus preventing the rapid development of resistance. Based on crystal structures of PhzF, derivatives of the inhibitor 3–hydroxyanthranilic acid were designed. Co‐crystal structures of the synthesized derivatives with PhzF revealed spacial limitations of the binding pocket of PhzF in the closed conformation. In contrast, ligands aligned to the open conformation of PhzF provided more room for structural modifications. The intrinsic fluorescence of small 3–hydroxyanthranilic acid derivatives enabled direct affinity determinations using FRET assays. The analysis of structure‐activity relationships showed that the carboxylic acid moiety is essential for binding to the target enzyme. The results of this study provide fundamental structural insights that will be useful for the design of PhzF‐inhibitors.