bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Brief Introduction on Latent Variable Based Ordinal Regression Models With an Application to Survey Data
Authors: Wieditz Johannes , Miller Clemens , Scholand Jan , Nemeth Marcus 
Published: October 2024

ABSTRACTThe analysis of survey data is a frequently arising issue in clinical trials, particularly when capturing quantities which are difficult to measure. Typical examples are questionnaires about patient's well‐being, pain, or consent to an intervention. In these, data is captured on a discrete scale containing only a limited number of possible answers, from which the respondent has to pick the answer which fits best his/her personal opinion. This data is generally located on an ordinal scale as answers can usually be arranged in an ascending order, for example, “bad”, “neutral”, “good” for well‐being. Since responses are usually stored numerically for data processing purposes, analysis of survey data using ordinary linear regression models are commonly applied. However, assumptions of these models are often not met as linear regression requires a constant variability of the response variable and can yield predictions out of the range of response categories. By using linear models, one only gains insights about the mean response which may affect representativeness. In contrast, ordinal regression models can provide probability estimates for all response categories and yield information about the full response scale beyond the mean. In this work, we provide a concise overview of the fundamentals of latent variable based ordinal models, applications to a real data set, and outline the use of state‐of‐the‐art‐software for this purpose. Moreover, we discuss strengths, limitations and typical pitfalls. This is a companion work to a current vignette‐based structured interview study in pediatric anesthesia.
Statistical Design and Analysis for Enhanced Production of Tetracycline‐Conjugated Copper Oxide Nanoparticles with Improved Antimicrobial Properties
Authors: Sharma Sakshi , Srivastava Saurabh , Chaudhary Abhishek 
Published: October 2024

AbstractPurpose: Since decades, numerous antibiotics have been used to treat different bacterial illnesses; among these, tetracycline is one of the commonly used antibiotics, which has led to development of bacterial resistance. To tackle this critical issue, we have developed a novel, biocompatible nanodrug that improves the antibacterial activity of tetracycline by conjugating it with copper oxide nanoparticles, thereby addressing the problem of multidrug resistance in bacteria. Methods: In this study, using unipot approach, tetracycline conjugated copper oxide nanoparticles were synthesized where tetracycline act as reducing as well as stabilizing agent. These nanoparticles were characterized by different analytical and microscopic technique. For statistical analysis, FFD and CCD model were employed to assess the effect of various parameters (concentration, pH, temperature and time). Results: The synthesis of nanoparticles was confirmed through different techniques. Synthesized nanoparticles exhibited the highest antibacterial activity against various microbes including multi‐drug resistant microbes compared to its individual constituents. DPPH and ABTS assays revealed high antioxidant activity of nanoparticles whereas, biocompatibility was assessed via MTT assay. The drug release profile confirms the sustained release of tetracycline molecules. Conclusions: We have successfully developed tetracycline conjugated copper oxide nanoparticles exhibiting potent antibacterial, antioxidant and biocompatible activity.
Dimethyl Sulfoxide Promoted Quinazolinone Synthesis
Authors: Kisan Devadkar Ajitrao , Paul Ishita , Sau Abhijit , Panda Tarun K. 
Published: October 2024

AbstractAn efficient and one‐step synthesis of quinazolinones using 2‐aminobenzamide and benzylamine in DMSO under external catalyst‐ and base‐free conditions is reported. A broad substrate scope and environment‐benign mild reaction conditions are the major attributes of this straightforward synthesis. Moreover, the synthesized quinazolinone derivatives were used to produce pharmaceutically active rutaecarpine analogues using a two‐step reaction: N‐alkylation followed by intramolecular cyclization.
Green Biosynthesis and Catalytic Application in Environmental Pollutants of Functionalized Pd‐Ag Bimetallic Nanoparticle by Deinococcus Radiodurans Extracts
Authors: Wang Yuxian , Bai Pengfei , Sheng Xian , Qing Molan , Yi Yuanyang , Zhang Zhidong , Jiang Ling , Zhu Liying 
Published: October 2024

AbstractCatalytic reduction of organic pollutants using metal nanoparticles (MNPs) as nanocatalyst is a promising approach. The widespread application of MNPs have led to an increase demand for their production. The green biosynthesis of MNPs using microbes is becoming increasingly important as they are benign and environmentally friendly. In this work, Deinococcus wulumuqiensis (D. wulumuqiensis) with high resistance to stresses was applied for the green preparation of different MNPs, including palladium nanoparticles (Pd NPs), silver nanoparticles (Ag NPs), and Pd−Ag bimetallic nanoparticles (Pd−Ag BNPs). The resultant MNPs exhibited a face‐centered cubic structure, with average size of 6.70 (Pd NPs), 6.24 (Ag NPs), and 6.13 nm (Pd−Ag BNPs), respectively. FT‐IR spectra indicated that the proteins and polysaccharides expressed by D. wulumuqiensis could potentially contributed to the formation of MNPs. The application of as‐prepared biocatalyst in catalytic degradation of pollutant dyes demonstrated that Pd−Ag BNPs had greater degradation ability of 4‐nitrophenol (95.1 %) and Rhodamine B (85.1 %) than monometallic nanoparticles. The pseudo‐first‐order kinetics results further indicated the superior catalytic ability of Pd−Ag BNPs, with rate constant of 0.450±0.009 (4‐nitrophenol) and 1.54×10−2 min−1 (Rhodamine B), respectively. Thus, the present study confirms that D. wulumuqiensis represents a promising candidate for the biosynthesis of Pd‐based nanoparticles with small size, which exhibited potential applications as bionanocatalyst in the degradation of water pollutants.
Structure‐Based Computational Approach in Search of the Potent Molecules Targeting Phosphoglycerate Dehydrogenase (PHGDH) Enzyme for Cancer Treatment
Authors: Solanki Priyanka , Manhas Anu , Patel Dhaval , Jha Prakash 
Published: October 2024

AbstractThis work aims to target phosphoglycerate dehydrogenase (PHGDH), a promising druggable target, that is overexpressed in various types of cancer. A structure‐based approach was employed to identify novel inhibitors against the enzyme. A common five‐feature pharmacophore model (RRHDA) was constructed using the active site co‐crystalized ligands. These chemical features were responsible for showing inhibition. The generated models were subsequently subjected to the validation method using a test set, receiver‐operator characteristic analysis, enrichment factor, and Güner–Henry studies. The validated models were subjected to the screening of a dataset of natural compounds. The screened unique natural compounds (1795) were further selected for the interaction analysis and study of ligand binding affinity considering the effect of the hydrogen bonding and desolvation and hydrophobic interactions contribution to the binding. The natural compounds which exhibited good ligand binding efficiency were selected and further subjected to pharmacokinetics and pharmacodynamic study. The natural compounds which exhibited good ligand binding efficiency were selected and further subjected to pharmacokinetics and pharmacodynamic study. The finalized complexes were selected for the simulation studies and MM/PBSA‐based binding free energy calculations. This study expands the possibilities for the development of shortlisted molecules as novel anti‐cancer compounds.
Synthesis and Electrochemical Performances of Fluffy Carbonized Hexagonal KCoPO4 as Pseudocapacitive Electrode for High performing Hybrid Supercapacitor Applications
Authors: Gopal Nigam Krishna , Kumar Singh Abhijeet , Mukherjee Soham , Singh Preetam 
Published: October 2024

AbstractElectrochemical energy storage is one of the effective ways that can address the mentioned issues as alternative energy/power produced through solar or windmills can effectively be stored for continuous usage. Hybrid/Asymmetric supercapacitors can deliver a significant amount of power density as well as increased energy density with better rate capability and longer lifespan. The fluffy carbonized hexagonal KCoPO4 synthesized via a simple sol‐gel method accompanied by calcination has delivered high capacitance and longer cyclibility as a positive electrode in aqueous asymmetric supercapacitors. The fluffy carbonized hexagonal KCoPO4 exhibited a specific capacitance equal to 725 F/g at 0.5 A/g current density with excellent cyclic stability. The predominant intercalative pseudocapacitive charge storage behavior seems to be the reason behind the high capacitance of the electrode due to the active involvement of Co2+/3+ redox couple mediate charge storage as intercalative (inner) and capacitive, (outer) surface charges storage on the electrode were close to 37 % and 63 % respectively. Aqueous Asymmetric supercapacitor mode with KCoPO4 being a positive electrode and activated carbon being a negative electrode (KCoPO4//AC) was designed to address its performance in 2 M KOH aqueous electrolyte. The fabricated device in AASc mode (AC//KCoPO4) achieved the highest energy density close to 121.1 Wh/kg with a high power density of 6945 W/kg in the potential window of 1.5 V in 2 M KOH electrolyte.
Exploring Charge Transfer Mechanisms in Schiff Base‐Modified N‐Doped GQDs: Insights from DFT and Pump‐Probe Spectroscopy for Bioimaging Applications
Authors: Hançe Saadet , Erdener Diğdem , Öztürk Berfin Ilayda , Akhuseyin Yildiz Elif , Karatay Ahmet , Boyacioglu Bahadir , Ünver Hüseyin , Yilmazer Açelya , Yıldız Mustafa , Elmali Ayhan 
Published: October 2024

AbstractIn recent developments, graphene quantum dots (GQDs) have emerged as valuable tools for imaging and biosensing. Various modifications on the GQDs with any desired functionality and attachment of organic molecules and/or nanostructures allow tuning their photophysical properties as well as charge transfer dynamics for bioimaging applications. This study focuses on synthesizing and characterizing of polyethyleneimine‐functionalized nitrogen‐doped GQDs (NC1), Schiff base‐ functionalized nitrogen‐doped GQDs (NC2), and silver nanocomposites of these Schiff base‐functionalized nitrogen‐doped GQDs (NC3). We explore their absorption and emission properties to understand their interactions in the ground state. Furthermore, ultrafast transient absorption spectroscopy measurements reveal that the presence of NC3 shortens the excited state lifetime of NC1 due to charge transfer, resulting in reduced fluorescence intensity. Both experimental and DFT results suggest the potential of NC3 for bioimaging and sensing applications, making them promising candidates for phototheranostic purposes.
Bone Healing via Carvacrol and Curcumin Nanoparticle on 3D Printed Scaffolds
Authors: Dahiya Aditi , Chaudhari Vishal Sharad , Bose Susmita 
Published: October 2024

AbstractCarvacrol is a potent antimicrobial and anti‐inflammatory agent, while curcumin possesses antioxidant, anti‐inflammatory, and anticancer properties. These phytochemicals have poor solubility, bioavailability, and stability in their free form. Nanoencapsulation can reduce these limitations with enhanced translational capability. Integrating nanocarriers with 3D‐printed calcium phosphate (CaP) scaffolds presents a novel strategy for bone regeneration. Carvacrol and curcumin‐loaded nanoparticles (CC‐NP) synthesized with melt emulsification produced negatively charged, monodispersed particles with a hydrodynamic diameter of ≈127 nm. Their release from the scaffold shows a biphasic release under physiological and acidic conditions. At pH 5.0, the CC‐NP exhibits a 53% release of curcumin and nearly 100% release of carvacrol, compared to 19% and 36% from their respective drug solutions. At pH 7.4, ≈40% of curcumin and 76% of carvacrol releases, highlighting their pH‐sensitive release mechanism. In vitro studies demonstrate a 1.4‐fold increase in osteoblast cell viability with CC‐NP treatment. CC‐NP exhibit cytotoxic effects against osteosarcoma cells, reducing cell viability by ≈2.9‐fold. The antibacterial efficacy of CC‐NP evaluated against Staphylococcus aureus (SA) and Pseudomonas aeruginosa (PA) exhibiting 98% antibacterial efficacy. This approach enhances therapeutic outcomes and minimizes the potential side effects associated with conventional treatments, paving the way for innovative applications in regenerative medicine.
Enhanced Structural VS4 Grown onto Hollow Carbon Mesoporous Spheres via Surficial Bonding for High Cycling Stability in Sodium‐Ion Batteries
Authors: Tang Mingxuan , Yin Xinxin , Cao Yali , Ma Huan , Zhang Xuntao , Jia Dianzeng 
Published: October 2024

AbstractTransition metal sulfides are recognized as an excellent alternative to sodium ion anodes ascribed to the outstanding theoretical capacity. The unique crystal arrangement of VS4 gives it exceptional theoretical capacity, despite challenges like insufficient electrical conductivity and undesirable volume expansion. Herein, a novel stabilized anode featuring a distinctive 3D hollow spherical structure is proposed, providing a simple strategy to synthesize such anodes for VS4‐HCMSs bonded via C‐O‐S and V‐O‐C interfaces. The kinetic investigations and density functional theory reveal that the unique structure connected by interfacial bonds enhances Na+ transport rate and charge transfer efficiency, while carbon greatly mitigates the volume expansion. Unsurprisingly, the VS4‐HCMSs exhibit an impressive first‐cycle Coulombic efficiency of 91.31% and an ultrahigh reversible capacity of 612 mAh g−1 after 300 cycles at 0.5 A g−1, even exhibit the reversible capacity of 498.8 mAh g−1 after 1000 cycles at 5 A g−1. Additionally, the NaFePO4//VS4‐HCMSs full cell is cycled for 200 cycles at 0.2 C and powered the light‐emitting diodes for up to 30 minutes afterward. Overall, this work enhances the conductivity and stability of the material by combining VS4 with hollow carbon mesoporous spheres through interfacial bonding, offering an efficient strategy to anode materials in sodium‐ion batteries.
Exploring the Interaction of Lipid Bilayers with Curcumin–Laponite Nanoparticles: Implications for Drug Delivery and Therapeutic Applications
Authors: Pawar Nisha , Peña‐Figueroa Miriam , Verde‐Sesto Ester , Maestro Armando , Alvarez‐Fernandez Alberto 
Published: October 2024

AbstractCurcumin, the active compound in turmeric, is renowned for its anti‐inflammatory, antioxidant, and antimicrobial properties, making it beneficial for treating conditions like arthritis, neurodegenerative diseases, and various cancers. Despite its promising therapeutic potential, curcumin's poor bioavailability—due to its rapid metabolism and low solubility—limits its clinical efficacy. To address this, recent research has focused on enhancing curcumin delivery using nanoparticles, liposomes, and novel nanomaterials. Among these, laponite, a synthetic nanoclay, has shown promise in improving curcumin delivery due to its unique properties, including large surface area, dual charge, and stability in solution. This study explores the use of curcumin–laponite nanoparticles as carrier vehicles for controlled delivery to in vitro model membranes. Utilizing advanced techniques such as neutron reflectometry, atomic force microscopy, quartz crystal microbalance with dissipation, and infrared spectroscopy, the interaction between curcumin–laponite nanoparticles and solid‐supported lipid bilayers is monitored, revealing enhanced stability and controlled release of curcumin across the membrane. These findings pave the way for the development of curcumin‐based therapies targeting cardiovascular, neurological, and oncological diseases, leveraging the synergistic effects of curcumin's biological activity and laponite's delivery capabilities.
A Pyrrole Modified 3,4‐Propylenedioxythiophene Conjugated Polymer as Hole Transport Layer for Efficient and Stable Perovskite Solar Cells
Authors: Tang Yuanhao , Ma Ke , Shao Wenhao , Lee Yoon Ho , Abtahi Ashkan , Sun Jiaonan , Yang Hanjun , Coffey Aidan H. , Atapattu Harindi , Ahmed Mustafa , Hu Qixuan , Xu Wenzhan , Dani Raunak , Wang Limei , Zhu Chenhui , Graham Kenneth R. , Mei Jianguo , Dou Letian 
Published: October 2024

AbstractDespite the outstanding electric properties and cost‐effectiveness of poly(3,4‐ethylenedioxythiophene) (PEDOT) and its derivatives, their performance as hole transport layer (HTL) materials in conventional perovskite solar cells (PSCs) has lagged behind that of widely used spirobifluorene‐based molecules or poly(triaryl amine). This gap is mainly from their poor solubility and energy alignment mismatch. In this work, the design and synthesis of a pyrrole‐modified HTL (PPr) based on 3,4‐propylenedioxythiophene (ProDOT) are presented for efficient and stable PSCs. As a result of the superior defects passivation ability, excellent contact with perovskite, enhanced hole extraction, and high hydrophobicity, the unencapsulated PPr‐based PSCs showed the peak PCE of 21.49% and outstanding moisture stability (over 4000 h). This work highlights the potential application of ProDOT‐based materials as HTL for PSCs and underscores the importance of the rational design of PEDOT and its derivatives.
Creating a culture of assessment in student affairs to inform practices, priorities, and fiscal decisions utilizing the CAS standards framework at small institutions
Authors: Willis Michaela , Grieve Kimberly , Daynes Gary 
Published: October 2024

AbstractDoing more with less is a continual dynamic faced by leaders in higher education, particularly within small institutions where resources can be scarce, and professionals often are wearing multiple hats. The ability to prioritize programs and services in student affairs rises to the forefront of our work every day. As a result, leaders often need to make strategic decisions regarding what to continue, what to sunset, and how to invest in new innovations to promote student success. This article will focus on strategies for student affairs professionals at small institutions to make and implement decisions regarding our work by building a culture of assessment within student affairs through the utilization of the Council for Advancement of Standards (CAS) standards to inform the strategic prioritization of limited resources.
Environmental Impact of Automobile Wastes on Surface Water Quality in Ebonyi State, Southeast Nigeria
Authors: Okafor Odera Chukwumaijem , Akwuebu Anselem Nwabuaku , Njoku Chima , Ekwe Okechukwu Okorie 
Published: October 2024

ABSTRACTThe negative impact of operations in informal auto mechanic workshops is a major public health concern, and its effect on surface water pollution cannot be overlooked. This current work evaluates the environmental impact of automobile waste on surface water quality in Ebonyi State, Southeast Nigeria. A total of 108 surface water samples were taken in 2022 and 2023 from Abakaliki, Onueke, and Afikpo streams, and WHO as controls using standard analytical methods. Data sets were analyzed using Fisher's Significance Least Difference (F‐LSD) at the 0.05 probability level. The study showed that surface water appearance was slightly brown, and the observed upstream is acidic in nature, the midstream is alkaline, and the downstream is natural. Water samples from Abakaliki, Onueke, and Afikpo streams were observed to be hard since their concentration levels were above the WHO standard. Furthermore, the high concentrations of heavy metals (Pb and Mn) as well as the oil and grease content indicate that the surface water in the area of study is polluted and its overall quality is degraded. The study therefore concluded that automobile waste had a negative influence on the surface water quality in the study area. Based on these new findings, it is recommended that automobile waste be properly treated and disposed of to avoid their adverse effects on surface water quality. In addition, given the uncontrolled development of these informal auto workshops across the nation in recent years, there is a need for the execution of environmental standards connected to automobile service activities.
The R&D Cost of Climate Mitigation in Agriculture
Authors: Fuglie Keith , Ray Srabashi , Baldos Uris Lantz C. , Hertel Thomas W. 
Published: October 2024

AbstractAgriculture is responsible for about one-quarter of global emissions of greenhouse gases (GHGs). Supply-side approaches for reducing emissions from agriculture rely on emissions-saving technological change and the environmental protection of carbon-rich areas. We investigate how productivity policies, in the form of agricultural research and development (R&D) spending, might affect GHG emissions from agriculture compared to environmental policies that restrict agricultural land use or production practices that may cause environmental harm. Using a global economic model, we project outcomes from policy scenarios involving R&D, environmental policies, and combinations of both. At the global level, more R&D spending to accelerate productivity growth reduces GHG emissions from land-use change less effectively than targeted environmental policies. However, accelerated productivity growth reduces emissions intensity of agricultural production and reduces the cost of the environmental policy. Moreover, higher levels of productivity permanently lower agricultural GHG emissions and generally improve global food security. Policies that restrict agricultural factor inputs in order to reduce local environmental costs may increase global agricultural GHG emissions and worsen food insecurity. These consequences could be avoided by increasing R&D spending to accelerate agricultural productivity growth that is either factor neutral or biased toward saving production factors associated with negative environmental externalities.
Local Groundwater Sustainability Policies and Global Spillovers
Authors: Haqiqi Iman , Bowling Laura , Jame Sadia , Baldos Uris Lantz C. , Liu Jing , Hertel Thomas W. 
Published: October 2024

AbstractThe rapid depletion of US groundwater resources brings attention to the significance of groundwater governance. However, any such restrictions on groundwater withdrawals are likely to generate spillover effects, causing further environmental stresses in other locations and adding to the complexity of sustainability challenges. The goal of this study is to improve our understanding of the implications of growing global food demand for local sustainability stresses and the implications of local sustainability policies for local, regional, and global food production, land use, and prices. We employ Simplified International Model of agricultural Prices, Land use, and the Environment- Gridded version (SIMPLE-G) to disentangle the significance of remote changes in population and income for irrigation and water resources in the United States. Then, we examine the local-to-global impacts of potential US groundwater sustainability policies. We find that developments in international markets are significant, as more than half of US sustainability stresses by 2050 are caused by increased commodity demand from abroad. Furthermore, a US sustainable groundwater policy can cause overseas spillovers, thereby potentially contributing to environmental stresses elsewhere, even as groundwater stress in the United States is alleviated. These unintended consequences could include deforestation due to cropland expansion as well as degradation in water quality due to intensification of production in nontargeted areas.