bluuebunny/crossref_metadata_2025_split huggingface dataset:
Supply Base attributes and diversion risk in a supply chain for hazardous pharmaceutical products
Authors: Skilton Paul F. , Mackelprang Alan , Sepehrirad Ramin , Bernardes Ednilson 
Published: October 2024

AbstractWe develop a novel construct, diversion risk, defined as the potential for post‐retail diversion that results from increased sales of hazardous goods. We examine diversion risk in the context of prescription opioid sales in the United States. We ask how supply base attributes and nonprofit ownership influence the creation of opioid diversion risk. We use performance‐outcome expectancy theory to hypothesize that pharmacies organize supply bases to help them avoid negative evaluations and that nonprofit ownership alters expectancy concerning legal but questionable behavior. We develop and test multilevel hypotheses explaining how supply base complexity, chain size, and nonprofit ownership influence diversion risk. Our analysis of DEA data from 2006 to 2019 finds that after accounting for other attributes, supply base complexity is positively related to diversion risk, within and between firms. Retail chain size is negatively related to diversion risk in the within‐firm model, but positively in the between firm model. Testing our nonprofit hypothesis reveals that nonprofit pharmacies also use size and supply base complexity to manage diversion risk. This research sheds light on the dynamics of diversion risk in pharmaceutical supply chains. It has practical implications for the industry, potentially informing future policy and practice addressing this critical issue.
Micromechanics modeling on the prediction of dielectric constant of polymer‐matrix composites considering inhomogeneity interaction
Authors: Guo Yadong 
Published: October 2024

AbstractPredicting the dielectric constant of composites based on their component characteristics can accelerate the development of high‐energy storage dielectrics. In this work, to take into account the shape and interaction of randomly oriented inhomogeneities on the dielectric properties of composites, the orientation interaction model (OIM) initially used for composite stiffness prediction is adopted to predict the dielectric constant of composites. OIM applies to multi‐phase composites, and the inhomogeneities are approximated using ellipsoids in OIM. To verify the proposed model, some test data are adopted, and the model predictions match well with the test data. It is found that the inhomogeneity shape has a large influence on the dielectric constant of composites, and the influence increases with increase of the dielectric property difference between inhomogeneities and the matrix. The model captures that at the same inhomogeneity volume fraction, composites containing high aspect ratio inhomogeneities exhibit a high dielectric constant, and it shows penny‐shaped inhomogeneities perform better than cylindrical inhomogenities on increasing the dielectric constant of composites.Highlights
The interaction among randomly oriented inhomogeneities is considered.
Every parameter can be determined based on the microstructure of composites.
The proposed model applies to multi‐phase composites.
Hygrothermal aging behavior of C/GFRP hybrid rod with bundle‐by‐bundle dispersion
Authors: Xian Guijun , Chen Rusheng , Tian Jingwei , Niu Yanzhao , Li Chenggao , Guo Rui 
Published: October 2024

AbstractFiber hybrid with bundle‐by‐bundle dispersion can achieve the high performance of composites, fully understand the hybrothermal resistance of hybrid composites is the key to prove the applications in engineering structures. In the present paper, the hygrothermal resistance performances of new type carbon and glass fiber reinforced epoxy based hybrid rod with bundle‐by‐bundle dispersion produced by pultrusion technology is investigated experimentally. The tests of water absorption and desorption, thermal and mechanical performances are performed to obtain the evolution rules of hygrothermal aging. As a result, the water absorption of hybrid rod confirms to the Fick's diffusion behavior, the serious relaxation of resin matrix and the interfacial debonding of fiber‐resin exposed at high temperature provide more diffusion space for water molecules. Long‐term hydrothermal aging results in the recoverable plasticization of resin matrix and irrecoverable interfacial debonding of fiber‐resin, which brings about the degradation of 6.7%–15.0% for short beam shear strength (SBSS) retention. In addition, the plasticization effect reduces the cross‐linking density of resin matrix, which leads to the degradation of 3.3%–15.6% for glass transition temperature (Tg) retention. The life prediction results show that degradation rate of SBSS is gradually slow down and reached to a stable retention of 85.5%.Highlights
Relaxation of resin matrix and interfacial debonding accelerate the diffusion of water molecules.
Plasticization and interfacial debonding lead to the degradation of short beam shear strength retention and glass transition temperature.
Long‐term life prediction shows that short beam shear strength e retention is 85.5%.
Fabrication and Potential Characterization of Silver‐Doped Zinc Oxide Glucose Biosensor
Authors: Junaid Muhammad , Haleema Avimra , Jabeen Raheela , AL‐Rawi Mahmood Basil A. , El‐Meligy Mohammed , Ahmed Sibtain 
Published: October 2024

This work is devoted to studying and manufacturing a highly sensitive nonenzymatic glucose biosensing system of metal oxides via the sol–gel technique. The X‐ray diffraction patterns of all the prepared samples confirm that the samples present hexagonal crystal lattice structures of ZnO and Ag–ZnO nanoparticles. Ultraviolet (UV) analysis of all the samples is carried out to evaluate the absorption of silver in the UV region for electrical and chronoamperometric analysis. The transmittance of all the samples is observed, and the maximum transmittance is 11% for 4% AgZnO. Fourier transform infrared spectroscopy reveal the functional group stretching and vibration of the particles at different wavelength ranges. Scanning electron microsocpy analysis reveals the grain size and morphology of the samples, which decrease with increasing doping agent. Chronoamperometric analysis of all the samples reveals that the value increases with time for the 4% doped sample. The sensing response is also observed and is enhanced with increasing temperature for the 4% doped sample. The sensing response of the samples coated with carbon fiber electrodes is assessed from −0.2 to +0.5 V at a scan rate of 50 mV s−1.
Extending the Shelf Life of Doxorubicin Loaded PLGA Nanoparticles with Cryoprotectants
Authors: Koldankaya Tuğba , Mert Serap 
Published: October 2024

AbstractSugars, as cryoprotectants, can be added to NP formulations before lyophilization to ensure that NPs retain their size during long‐term storage. In this study, mannitol, glucose, and sucrose were used at different concentrations to extend the storage time of doxorubicin (DOX)‐loaded PLGA‐NPs prepared using two different copolymer ratios (75 : 25 and 50 : 50) at different storage temperatures (−20, +4, and +25 °C). After lyophilization, a glucose or sucrose concentration of only 5 % for DOX‐PLGA‐75 : 25‐NP and a glucose concentration of 10 % for DOX‐PLGA‐50 : 50‐NP were found to prevent agglomeration for up to 4 months at −20 °C. It is noteworthy that after storage at 4 °C for up to 4 months, agglomeration was prevented using 5 % sucrose and 10 % glucose in DOX‐PLGA‐50 : 50‐NP and 10 % sucrose content in both NP types. On the other hand, as expected, no sugar type or concentration could prevent agglomeration during long‐term storage of NPs at 25 °C. The sizes and encapsulation efficiencies (EE%) before lyophilization were 221.8±2.20 and 45.4 % for DOX‐PLGA‐50 : 50‐NP and 221.5±1.31 and 48.7 % for DOX‐PLGA‐75 : 25‐NP, respectively. Furthermore, the release profiles and encapsulation of DOX in both NPs were investigated by UV‐Vis analyses. DSC analysis revealed that DOX was present in the free form and amorphous in the NPs. Consequently, PLGA copolymer ratios were found to have an impact on the long‐term stability of DOX loaded PLGA lyophilizates, and DOX‐loaded NPs prepared with PLGA 75 : 25 or PLGA 50 : 50 can be stored at −20 and +4 °C for up to 4 months when combined with appropriate sugar contents and concentrations, demonstrating the versatility of these materials.
Design, Synthesis and Computational Insight of Isolated and Thiophene fused 2H‐Pyran‐2‐ones as PPAR‐γ Agonist
Authors: Shah Chandan , Nemaysh Vishal , Althagafi Ismail , Rai Reeta , Kumar Yadav Dharmendra , Pratap Ramendra 
Published: October 2024

AbstractPeroxisome proliferator‐activated receptor gamma (PPAR‐γ) is a well‐known member of the PPAR family and a potential target for the treatment of various disorders. Herein, we present the design and synthesis of various 6‐aryl‐4‐sec.amino‐2‐oxo‐2H‐pyran‐3‐carbonitrile derivatives and functionalized thieno[3,2‐c]pyran‐2‐ones, derived from ketene dithioacetal. Then all the synthesized compounds were docked for their activity as PPAR‐γ to predict the binding mechanism and affinities regarding rosiglitazone and muraglitazar. Our studies revealed that three compounds 10 e, 10 f, and 10 h showed significant binding affinities, with energy ranges comparable to standard drugs rosiglitazone and muraglitazar. The docking conformation studies revealed that the selected compounds nicely interact with PPAR‐γ in the ligand binding domain with positive predictive values. We also performed molecular dynamics of the most potent compounds to validate the result. Our results indicate that these novel compounds are potential PPAR‐γ ligands, offering new possibilities for therapeutic applications. This study underscores the potential of these synthesized compounds in the development of novel PPAR‐γ agonists.
Preparation of CYCU‐3/MCM‐41 Composites and Adsorption Properties for n‐Hexane
Authors: Li Ying 
Published: October 2024

AbstractAdsorption method is one of the effective technologies for treating VOCs. Compared with activated carbon, silicon‐based materials have well‐ordered pore structure, good thermal stability and non‐flammability. In this paper, CYCU‐3/MCM‐41 composites were prepared by hydrothermal method through mixing MCM‐41 powder in situ. The nitrogen adsorption isotherms, saturation adsorption and cyclic adsorption/desorption curves of n‐hexane on CYCU‐3/MCM‐41 composites were experimentally measured. The results displayed that the CYCU‐3/MCM‐41 (3) exhibited the largest BET specific surface area (1631 m2/g). And its n‐hexane adsorption capacity was 776 mg/g, which was 19.4 % higher than that of MCM‐41, 1.42 times that of activated carbon, and 2.64 times that of molecular sieve. The kinetic fitting results showed that the pseudo‐first order kinetic model can more precisely embody the n‐hexane adsorption process on CYCU‐3/MCM‐41 composites, and the W‐M intraparticle diffusion model confirmed that intraparticle diffusion was not the only control step for the adsorption rate of n‐hexane on CYCU‐3/MCM‐41 composites. In addition, the regenerative rate of CYCU‐3/MCM‐41 (3) was over 98.9 % after ten adsorption and desorption cycles of n‐hexane, showing good desorption performance and excellent structural stability, and proving its broad application prospect in the field of VOCs treatment.
Visible Light Driven Defect Mediated Photocatalytic Activity of Spray Pyrolyzed Ga and Al Doped ZnO Thin Film Electrodes
Authors: Maharana Gouranga , Jayavelu Yuvashree , Muniramaiah Reddivari , Paul Joseph D. , Baskar Leena , Manavalan Kovendhan 
Published: October 2024

AbstractGa and Al doped ZnO thin film electrodes are spray deposited and explored for photocatalytic deterioration of methylene blue dye. X‐ray diffraction unveils both films to have highly textured growth along the (002) plane. The surface morphology is found to have near spherical and distorted rectangular particles for Ga and Al dopants, respectively. Photoluminescence emission study reveals that both films have visible light emissions in the violet, blue, and green regions due to oxygen vacancy defects. The deposited films exhibit a reasonably higher transmittance of 89 and 77 % with mobility of 30.5 and 29.6 cm2/Vs for Ga and Al doped ZnO, respectively. Cyclic test and photo‐corrosion studies performed for selected samples were indicating significant stability. Based on these findings the electrodes are explored for the photocatalytic degradation of methylene blue dye and are found to have significant efficiency upon LED and sunlight irradiation.
Smart Nanocoating‐ an Innovative Solution to Create Intelligent Functionality on Surface
Authors: Dhiman Nitesh , Singla Nancy 
Published: October 2024

AbstractThe interaction of substrate surfaces with the environment (moisture, heat, pressure, chemicals) has cascade effects on their efficiency, performance, durability due to their susceptibility towards microbial adhesion, spontaneous leaching, impairment, corrosion etc. Many scientific, technological innovations such as smart coating have been discovered for the protection of these surfaces. It is a high‐tech, high value coating capable of responding to environmental impulses. Incorporation of nanofillers, nanomatrices in smart coating improve surface performance by extending service life, provide high durability, high physical coverage, adhesive strength etc. Real‐time monitoring of environmental conditions, structural health could be made possible by sensing coatings. This review predominantly highlights the essential features, design, advancements, applications of smart nanocoatings over elementary nanocoatings. To cover the whole study, drawbacks of traditional coating methods are also discussed. Finally, the research gaps, future perspectives of smart nanocoatings will be overlooked.
Producing Activated Biochar from the Reuse of Discarded Coffee Grounds with Enhanced Adsorptive Features Explored Towards the Stripping Voltammetric Sensing of Copper (II)
Authors: Santos de Castro Bruna , Miranda de Freitas Caroline Piccoli , de Moura Guimarães Luciano , Chagas da Silva Renê , dos Santos Renato Natália , Almeida Silva Tiago 
Published: October 2024

AbstractThis work aims to allocate coffee grounds waste to the production of biochar from pyrolysis under different temperatures (350 °C and 500 °C), to add value to it. The resulting materials were characterized by immediate, elemental, thermogravimetric analysis, SEM, FT‐IR, XRD and Raman spectroscopy. Additionally, the need to activate the biochar produced for the desired use was evaluated. The obtained biochars were applied in electroanalysis in the manufacture of modified carbon paste electrodes. This choice was made due to the possibility of reaching a high sensitivity towards the determination of Cu2+ ions. The differential pulse adsorptive anodic stripping voltammetry technique was applied to perform the Cu2+ determination and, in this case, several parameters were optimized, including biochar’ percentage, pH of pre‐accumulation step and reduction/stripping step, pre‐accumulation time, potential and time of reduction of adsorbed‐Cu2+. From this, the proposed modified electrode showed a linear voltammetric response towards Cu2+ in the range of 66.1 to 3997.3 ppb, with a limit of detection of 31.8 ppb, in addition to having been satisfactorily applied in the analysis of water samples (recoveries close to 100 %). Thus, demonstrating the potential for reuse of discarded coffee grounds for the preparation of activated biochar with outstanding electrochemical performance.
In‐Silico Design of Novel Indole‐Selenide Derivatives as Potential P‐Glycoprotein Inhibitors Against Multi‐Drug Resistance in MCF‐7/ADR Cells: 2D‐QSAR, Molecular Docking, and Dynamics Simulations
Authors: Guendouzi Abdelmadjid , Belkhiri Lotfi , Houari Brahim , Djekoun Abdelhamid , Guendouzi Abdelkrim 
Published: October 2024

AbstractIn this work, a set of thirty‐one novel indole‐selenide derivatives (C1–C31), reported recently as P‐glycoprotein inhibitors against multi‐drug resistance in MCF‐7/ADR cells, have been computationally investigated for the first time by in‐silico approaches, combining 2D‐quantitative structure‐activity relationship based virtual screening (2D‐QSAR‐VS) model, molecular docking, and dynamics simulations. The in‐silico study aims to design new potent molecules with higher anticancer inhibitory activity than observed with in‐vitro assays. The 2D‐QSAR model is built using multiple linear regression (MLR) techniques, and cross‐validated by internal and external parameters, applicability domain (AD) analysis, and Y‐randomization tests, corroborating the Golbreikh and Tropsha criteria. Subsequently, virtual screening was performed on the generated database, considering higher pIC50 values than the most effective in‐vivo C27 inhibitor. Subsequently, molecular docking and dynamics simulations were applied on the selected higher‐scoring ligands showing the best interactions with the PHE643, TYR745, and PRO571 amino acids of the P‐gp receptor (7 A6E), predicting dynamically stable complexes at the time‐scale of 200 ns. The in‐silico outcomes indicate that the selected new ligands have shown promising inhibitory activity for future anti‐cancer therapies, with perspective validating by in‐vitro and in‐vivo studies.
Synthesis of Functionalized 3‐Azabicyclo[3.2.0]Heptanes via Visible‐Light Energy‐Transfer Catalysis
Authors: Pitchai Manivel , Kaspady Mahammed , Kannan Madhavan , Akunuri Arunkumar , Indasi Gopikumar , Pavan Mysore S. , Vetrichelvan Muthalagu , Oderinde Martins S. , Kempson James , Mathur Arvind , Gupta Anuradha 
Published: October 2024

AbstractFunctionalized cyclobutanes are three‐dimensional scaffolds widely found in natural products and bioactive molecules. Herein, we report a visible‐light‐induced intermolecular [2+2] cycloaddition reaction of a diverse array of alkenes with N‐substituted maleimides to access functionalized azabicyclo[3.2.0]heptanes. The reaction showed broad substrate scope with good chemo‐, regio‐ and diastereoselectivity under mild conditions. The robustness of this photo‐mediated [2+2] cycloaddition was demonstrated by carrying out a reaction on a 100 g scale (58 % yield). The prepared functionalized azabicyclo[3.2.0]heptanes are synthetic scaffolds for drug discovery.
Nimbolide Induces Cell Apoptosis via Mediating ER Stress‐Regulated Apoptotic Signaling in Human Oral Squamous Cell Carcinoma
Authors: Peng Bou‐Yue , Wu Chia‐Yu , Lee Chia‐Jung , Chang Tsung‐Ming , Tsao Ya‐Ting , Liu Ju‐Fang 
Published: October 2024

ABSTRACTHuman oral squamous cell carcinoma (OSCC) poses a significant health challenge in Asia, with current therapeutic strategies failing to improve the survival rates for OSCC patients sufficiently. To elucidate the effects of Nimbolide on OSCC cell proliferation and apoptosis, we performed a series of experiments, including cell proliferation assays, annexin V/PI assays, and cell cycle analysis. We further investigated nimbolide's role in modulating endoplasmic reticulum (ER) stress, reactive oxygen species (ROS) production, and mitochondrial dysfunction using flow cytometry. Additionally, Western blotting was used to detect apoptosis‐related protein expression. Our findings reveal that nimbolide exerts its anti‐proliferative effects on OSCC cells by inducing apoptosis. The nimbolide increased intracellular ROS levels and acceleration of cellular calcium accumulation, respectively promoting endoplasmic reticulum stress and cancer cell apoptosis. Furthermore, nimbolide activates the caspase cascade by altering the mitochondrial membrane potential and apoptotic protein expression, thereby inhibiting the viability of tumor cells. Our data show that Nimbolide suppresses tumor growth through the induction of ROS production, ER stress, and mitochondrial dysfunction, resulting in apoptosis in OSCC cells. Overall, our study highlights nimbolide as a potential natural compound for OSCC therapy.
Grapevine
Authors: Viret Olivier , Gindro Katia 
Published: October 2024

AbstractOne of the Tmost important cultivated crops worldwide, grapevine boasts a high biodiversity which has been largely underestimated and underused. Around 30 cultivars are planted for wine and table-grape production. Most of these belong to the species Vitis vinifera, which is susceptible to the major fungal diseases: downy and powdery mildew, grey mould and black rot. Depending on their co-evolution with these fungal pathogens in America, Asia or Europe, the different species of Vitis contain different levels of resistance and susceptibility related to their particular genomes. Since the late-nineteenth-century phytosanitary crisis in Europe which devasted the vineyards, the regular use of fungicides has been unavoidable when planting V. vinifera. On the other hand, the prospect of fungicide-free, sustainable viticulture has become a burning issue where crossbreeding plays a key role. This chapter provides an insight into the biodiversity of Vitaceae, the structure and anatomy of the grapevine and an overview of current knowledge of marker-assisted breeding for resistance to the major fungal diseases.
Wood Diseases
Authors: Viret Olivier , Gindro Katia 
Published: October 2024

AbstractSince the dawn of time, grapevine trunk diseases (GTDs) have been responsible for a sizeable decline in vineyards worldwide. Results from recent studies have found that the mycobiome composition of the woody tissues in symptomatic plants and close to leaves manifesting the ‘tiger stripes’ symptoms of esca, as well as in leaf-symptomatic canes, is highly similar to that of plants not exhibiting any symptoms. The role of fungi as primary pathogens causing GTDs within the microbiome of grapevine remains to clarify. Among the new hypotheses attempting to explain the emergence of GTDs, hydraulic failure of the plant’s vascular system due to vessel obstruction by fungi, pruning wounds and/or climatic stress are the most likely. Studies in plant physiology are only just beginning to identify the co-factors that may promote wood diseases and the degrading role of involved fungi. This chapter proposes a perspective on the problem of vine decline, integrating these different parameters, including phytotoxins.
Grafting and Fungi in the Nursery
Authors: Viret Olivier , Gindro Katia 
Published: October 2024

AbstractGrapevines have been grafted since the Phylloxera blight of the late nineteenth century. The root form of the louse responsible for Phylloxera, Daktulosphaira vitifoliae, attacks the roots of the European vine (Vitis vinifera), causing its rapid decline. The accidental importation of this insect from the northern USA led to a fundamental change in grapevine propagation practices worldwide. The grafting technique introduced in the wake of the phylloxera outbreak consists in joining the graft of a European grapevine (Vitis vinifera) which is susceptible to the root form but resistant to the leaf form of the insect pest onto a rootstock of American origin (Vitis spp), resistant to the root form but susceptible to the leaf form of the pest. The choice of rootstock is based on soil type, in particular soil limestone content, drought resistance, and conferred graft vigour. Grapevine plants are produced by vine nurserymen who graft and market rooted grafts after stratification and 1 year’s growth in a nursery. Each production stage must be carried out under irreproachable hygiene conditions, including cane disinfection stages to ensure propagation material limiting the presence of fungal pathogens that could alter the rooted-graft production process.