bluuebunny/crossref_metadata_2025_split huggingface dataset:
Calibration and validation of the SSSPAM coupled soilscape–landform evolution model for simulating short‐term gully development on a post‐mining landform
Authors: Welivitiya W. D. Dimuth P. , Hancock Greg R. 
Published: June 2022

AbstractPost‐mining landforms consist of unconsolidated waste, which can be highly erodible. In such structures of loosely bonded material, rill erosion and gully erosion are significant issues that lead to landform degradation. These landforms need to be designed to minimize erosion to ensure long‐term stability and sustainability. Various landform evolution models (LEMs) have been used to predict the evolution of such landforms and identify areas prone to gully erosion. However, there is a degree of uncertainty associated with predictions made by LEMs due to the lack of field data that can be used to assess their accuracy. Here we use the State Space Soil Production and Assessment Model (SSSPAM) to simulate gully erosion on a post‐mining landform. For the first time, we performed a qualitative and quantitative comparison between model predictions and field data of a post‐mining landform using the SSSPAM model. SSSPAM is a coupled soilscape–landform evolution model that simulates fluvial erosion and armouring, diffusive erosion, deposition and physical weathering within the soil profile. Here, two sites on an active coal mine with active gullies evolving in waste rock were examined. In addition, novel methodologies for model calibration based on experimental flume data and model parameter modification procedures for conducting model simulations at different spatial and temporal scales are introduced. Site‐specific erosion parameters, initial landform digital elevation models and the daily rainfall record of the site were used to simulate the evolution of gullies at the two different sites. Results show that SSSPAM can predict the gullies' position and general geomorphic characteristics with a high degree of accuracy.
Illustration of buoyant forces on Casson nanofluid flow through an exponentially stretching sheet with thermal radiation and chemical reaction
Authors: Behera S. , Dash A. K. , Mishra S. R. 
Published: June 2022

AbstractThe present investigation is intended to follow the characteristics of thermal as well as solutal buoyancy on the flow of non‐Newtonian–Casson nanofluid flow over the exponential stretching sheet embedding with the permeable medium. The interaction of thermal radiation along with the chemical reaction enriches the flow phenomena significantly. These properties are useful due to their recent applications in various industries as well as the biomedical area. The blood flow phenomenon described in the human body is characterized by the use of Casson nanofluid which is helpful for the drug delivery system. The suitable transformation rules are employed for the transformation of the proposed governing equation into ordinary and nonlinear. Furthermore, an approximate analytical approach such as Differential Transform Method is used for the solution of transformed governing equations. The illustration of the physical behavior of the contributing parameters involved in the flow phenomena is presented via graphs and tabular form.
Treatment of giant cell tumors of the distal radius: A long‐term patient‐reported outcomes study
Authors: Kuruoglu Doga , Rizzo Marco , Rose Peter S. , Moran Steven L. , Houdek Matthew T. 
Published: June 2022

AbstractIntroductionThe distal radius is a common location for giant cell tumors (GCTs) of bone. Management includes intralesional curettage or wide excision, however, long‐term comparisons of treatment options are limited. The purpose of the current study was to evaluate our institutions' outcomes of treatment of these tumors.MethodsWe reviewed 24 GCT of the distal radius in 23 patients (12 males: 11 females) with a mean age of 42 years at the time of surgery. Functional outcomes were collected including the Musculoskeletal Tumor Society Score (MSTS), QuickDash, the Visual Analog Scale (VAS), and the Patient Rated Wrist Evaluation (PRWE). The mean follow‐up was 13 years.ResultsTumor grade included Campanacci Grade II (n = 14) and Grade III (n = 10). Treatment included extended intralesional curettage (n = 16) and wide excision (n = 8). Reconstruction mainly included bone grafting/cement (n = 16) or free vascularized fibula radiocarpal arthrodesis (n = 5). At most recent follow‐up, there was no difference in MSTS, VAS, and PRWE (p > 0.05) between patients undergoing a joint sparing or arthrodesis. Patients undergoing arthrodesis had a lower QuickDASH score (13.7 vs. 20.8, p = 0.04)ConclusionsTreatment for GCT of the distal radius is individualized however in the setting of articular surface involvement, arthrodesis can lead to superior functional results at long‐term follow‐up.
A sensitive LC‐MS/MS method for quantification of phenytoin and its major metabolite with application to in vivo investigations of intravenous and intranasal phenytoin delivery
Authors: Prentice Richard N. , Younus Mohammad , Rizwan Shakila B. 
Published: June 2022

Phenytoin is a powerful antiseizure drug with complex pharmacokinetic properties, making it an interesting model drug to use in preclinical in vivo investigations, especially with regards to formulations aiming to improve drug delivery to the brain. Moreover, it has a major metabolite, 5‐(4‐hydroxyphenyl)‐5‐phenylhydantoin, which can be simultaneously studied to achieve a better assessment of its behaviour in the body. Here, we describe the development and validation of a sensitive LCMS/MS method for quantification of phenytoin and 5‐(4‐hydroxyphenyl)‐5‐phenylhydantoin in rat plasma and brain which can be used in such preclinical studies. Calibration curves produced covered a range of 7.81 to 250 ng/mL (plasma) and 23.4 to 750 ng/g (brain tissue) for both analytes. The method was validated for specificity, sensitivity, accuracy, and precision and found to be within the acceptable limits of ±15% over this range in both tissue types. The method when applied in two in vivo investigations: validation of a seizure model and to study the behaviour of a solution of intranasally administered phenytoin as a foundation for future studies into direct nose‐to‐brain delivery of phenytoin using specifically developed particulate systems, was highly sensitive for detecting phenytoin and 5‐(4‐hydroxyphenyl)‐5‐phenylhydantoin in rat plasma and brain.
Multi‐unit ownership and market power: A study of the lodging industry in Texas
Authors: Koh Jung Hwan , Rojas Christian 
Published: June 2022

AbstractAs franchisees in the retail and service industries become experienced and acquire local market knowledge, they are likely to own multiple franchised units. Given non‐ (or weak) exclusive clauses in franchising contracts or industry norms, some of these multi‐unit owners are affiliated with multiple franchisors. Agency and transaction cost theories, the classic theoretical framework to analyze franchising, cannot explain this type of multi‐franchisor affiliation because this type of ownership would create incentive problems across franchisors. Conversely, this paper investigates whether this type of the multi‐unit ownership can be explained by the exercise of market power by these franchisees. We test this hypothesis in geographically clustered markets (hotels near the interstate highway exits), where multi‐unit ownership is common. We first show that multi‐unit owners affiliated with multiple franchisors charge higher prices than other franchisors. Then, in our main analysis, we show that one explanation for this pattern is the existence of market power: Without multi‐unit ownership, prices at these hotels would decrease by 9%, on average (and market‐level volume sales would increase by 7.52%). These results help explain why franchisors might be willing to engage in franchising contracts with franchisees that operate units associated with different franchisors.
Water Dynamics in Highly Concentrated Salt Solutions: A Multi‐Nuclear NMR Approach
Authors: Rezaei‐Ghaleh Nasrollah 
Published: June 2022

AbstractLiving cells often contain compartments with high concentration of charged biomolecules. A key question pertinent to the function of biomolecules is how water dynamics are affected by interaction with charged molecules. Here, we study the dynamical behavior of water in an extreme condition, that is, in saturated salt solutions, where nearly all water molecules are located within the first hydration layer of ions. To facilitate disentangling the effects of cations and anions, our study is focused on alkali chloride solutions. Following a multi‐nuclear NMR approach enabling direct monitoring of protons and the quadrupolar nuclei 7Li, 17O, 23Na, 35Cl, 87Rb and 133Cs, we investigate how the translational and rotational mobility of water molecules, chloride anion and corresponding cations are affected within the constrained environment of saturated solutions. Our results indicate that water molecules preserve a large level of mobility within saturated alkali chloride solutions that is significantly independent of adjacent ions.
Modeling the thermodynamics and kinematics of spherical particle dispersion in polymer melts: Model derivation and simulation analysis
Authors: Wetzel Mark D. , Campbell Gregory A. 
Published: June 2022

AbstractA cohesive binding‐force‐based model has been developed to predict solid particulate agglomerate break up in fluids sheared volumes leading to particle dispersion in polymer melt extrusion processes. Particle—particle, particle—polymer, and particle—modifier—polymer interactions are modeled using adaptions from Hamaker's approach. This leads to an analytical molecular attraction approach that captures the effects of: (1) particle‐particle agglomerate cohesion based on material properties and structure, (2) the effect of surface modifiers on cohesive strength and particle separation, (3) polymer wetting and melt adhesion leading to medium‐agglomerate stress transfer, (4) applied fluid mechanical stress and melt temperature, and (5) residence time. In this paper, the model is evaluated, and several predicted effects of processing parameters on reduction of agglomerate size are calculated and graphically presented from this phase of the research. The predicted trends are consistent with the published data in the literature.
Investigation of Bamboo Leaves as an Alternative Source of Silica: Extraction, Characterization and Its Application as an Adsorbent for Methylene Blue Sequestration
Authors: Joshi Uttara R. , Roy Ritwika , Satsangi P. Gursumeeran 
Published: June 2022

AbstractThe present study examines an alternative method for extracting silica from natural waste such as bamboo leaves (BL) via thermal combustion, followed by acid treatment and alkaline extraction. The physico‐chemical properties of extracted silica were studied by comprehensive characterization tools. FESEM revealed that extracted silica is highly porous and interconnected. EDX, XRD and FTIR study confirmed the purity, amorphous nature and functional groups of extracted silica. The major interest of this paper was to functionalize extracted silica with alginate and to optimize the parameters such as pH (at 5), and equilibrium time (60 min) for the removal of methylene blue (MB) from aqueous solutions. The kinetic data was fitted well in the pseudo‐second order model and the maximum adsorption capacity was found to be 54.35 mg/g. The favorability of the Langmuir isotherm suggested that the adsorption system was dominated by the monolayer adsorption process with uniform adsorption sites present on the surface. The morphological changes due to MB adsorption on prepared composites were authenticated by FTIR and DFT calculations. Therefore, the present investigation emphasizes the suitability of silica extraction from bamboo leaves waste over chemical precursors to synthesize adsorption composites.
Investigating the State of Skin Layer of Asymmetric Polyethersulfone (PES) ‐ Zeolitic Imidazole Framework‐8 (ZIF‐8) Mixed Matrix Gas Separation Membranes and Its Effect on Gas Separation Performance
Authors: Tüzün‐Antepli Burcu , Yılmaz Levent , Kalıpçılar Halil 
Published: June 2022

AbstractAsymmetric and dense polyethersulfone (PES) and PES/ZIF‐8 (Zeolitic Imidazole Framework‐8) membranes were produced by nonsolvent induced phase inversion and solvent evaporation, respectively. The skin layer on the asymmetric membranes was prepared intentionally thick to observe the distribution of ZIF‐8 and interfacial voids between ZIF‐8 and PES, and to compare the state of ZIF‐8 in the asymmetric membranes with that of in dense membranes prepared by solvent evaporation. All asymmetric membranes were prepared only by wet phase inversion to eliminate the effect of solvent evaporation on the skin layer morphology. For this purpose, the effect of composition of solvent and nonsolvent bath, ZIF‐8 percentage and particle size was investigated. The skin layer on asymmetric and dense membranes prepared by SE (solvent evaporation) had very similar morphologies, CO2/CH4 and H2/CH4 ideal selectivities, however, the single gas permeabilities through asymmetric membranes were higher. This was attributed to the influence of ZIF‐8 on the structure of continuous polymeric phase.
Solvent‐Free Hantzsch Condensation Reaction Leading to Polyhydroquinoline and 1,8‐Dioxo‐decahydroacridine Derivatives Promoted by Nanosized Kaolin‐[BTMSP]‐NH2+ HSO4−
Authors: Aminian Shayan , Mazloumi Masoumeh , Zabihzadeh Mehdi , Shirini Farhad , Tajik Hassan 
Published: June 2022

AbstractIn this work, a new heterogeneous nanosized catalyst containing ionic liquid bridges was prepared based on kaolin (kaolin‐[BTMSP]‐NH2+ HSO4−). In order to characterize the catalyst, Fourier‐transform infrared spectroscopy (FTIR), energy dispersive spectrometer (EDS), X‐ray diffraction (XRD), thermogravimetric analysis (TGA), field emission scanning electron microscopy (FESEM), and CHNS elemental analysis were implemented. The catalytic performance of kaolin‐[BTMSP]‐NH2+ HSO4− was evaluated through the promotion of the one‐pot synthesis of polyhydroquinoline and 1,8‐dioxo‐decahydroacridine derivatives via the Hantzsch condensation reaction. The proposed methodology is capable of providing the target products during short reaction times in high yields under solvent‐free conditions. The use of inexpensive and readily available reagents for the synthesis of the catalyst, solvent‐free conditions, low catalyst loading, simple work‐up and reusability of the catalyst are considered as the prominent features of this method.
Design, Synthesis, Biological and Computational Assessment of New Thiazolidin‐4‐one Derivatives as Potential Anticancer Agents Through the Apoptosis Pathway
Authors: Bimoussa Abdoullah , Oubella Ali , Bjij Imane , Fawzi Mourad , Laamari Yassine , Ait Itto My Youssef , Auhmani Abdelouahed , Morjani Hamid , Cherqaoui Driss , Auhmani Aziz 
Published: June 2022

AbstractA variety of novel thiazolidin‐4‐one himachalene derivatives were designed and synthesized through hetero‐cyclization of thiosemicarbazone analogs that have previously exhibited strong anticancer activity. The synthesized products 2 a–4 f were completely characterized by 1H NMR, 13C NMR, IR, and HRMS and were later submitted for in vitro evaluation of their anticancer activity and cytotoxicity on a panel of four human cancer cell lines ( i.eHT‐1080, MCF‐7, A‐549, and MDA‐MB‐231). Most of the evaluated compounds showed potent antiproliferative activities against the four human cancer cell lines with tested IC50 values ranging from 5.25±0.32 to 9.26±0.73 μM. The mechanism of action revealed that compounds 2 b and 4 b induced caspase‐3/7‐activated apoptosis and cell cycle arrest in the G0/G1 stage in HT‐1080 and A‐549 cells. Furthermore, molecular docking studies were conducted to evaluate the binding affinities and the possible binding modes of the top‐performing compounds 2 b and 4 b. This was later supported by Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) analysis predicting their prospective pharmacological profiles. The outcome of this study supports the validity of our strategy and presents 2 b and 4 b as a pattern for the discovery of novel cancer therapeutics.
A Green Method to Prepare a Highly Concentrated Reduced Graphene Oxide (RGO) Dispersion and Its Anti‐Ultraviolet Radiation Property in RGO‐Modified Cotton Fabric
Authors: Su Yingjie , Han Li , Yang Wen , Hou Dongrui , Luo Jing , Zhang Mengyang , Sun Qinggong , Wang Jianfeng 
Published: June 2022

AbstractUsing honeysuckle extract as reductant, a green and efficient route is developed for preparing reduced graphene oxide (RGO) with high solubility (3 mg/mL) in water without stabilizers. The dispersibility of as‐prepared RGO is higher compared with data reported (normally <1 mg/mL). The produced RGO can be uniformly dispersed in water and organic solvents with excellent stability even after one month. As a proof of concept, the RGO coated cotton fabric has outstanding anti‐ultraviolet radiation properties with a UV protection factor (UPF) as high as 897.16, ∼54 times higher than the non‐modified cotton fabric, providing possibilities for future industrial applications, especially in anti‐ultraviolet coatings and biological materials.
Photocatalytic Degradation of Toxic Phenolic Compound and Bacterial Inactivation by Ternary Li doped Zn0.5Ni0.5Fe2O4
Authors: Mustafa Faisal Suleiman , Oladipo Akeem Adeyemi , Gazi Mustafa 
Published: June 2022

AbstractConventional methods are inefficient to treat water contaminated with persistent organic contaminants. To decontaminate bacteria and 2,4,5‐trichlorophenol (TCP) contaminated water, a heterogeneous photocatalysis‐based advanced oxidation process was applied in this study. A Li‐doped ternary Zn0.5Ni0.5Fe2O4 (ZNF) photocatalyst (Li/ZNF) was synthesized via a facile co‐precipitation technique and characterized. The Li/ZNF has a sufficient specific surface area (69.8 m2.g−1), and an appropriate bandgap of 2.89 eV. Under optimal conditions, 10 mg of Li/ZNF photocatalyst degraded 80 % of 50 mg L−1 TCP in 6 h at pH 3 in the presence of 4 mM H2O2. After use, the Li/ZNF photocatalyst was magnetically separated and reused numerous times, with an efficiency of 66 % after the fifth reuse cycle. In the antibacterial time‐kill assay, 15 and 25 mg of Li/ZNF inhibited 1×107 CFU.mL−1 of S. Aureus and E. coli bacteria after 60 min of UV exposure, respectively.
Recent Achievements on Functionalization within closo‐Decahydrodecaborate [B10H10]2− Clusters
Authors: Mahfouz Nadine , Ghaida Fatima Abi , El Hajj Zeinab , Diab Manal , Floquet Sebastien , Mehdi Ahmad , Naoufal Daoud 
Published: June 2022

AbstractCloso‐decahydrodecaborate anion, [B10H10]2−, is one of the most notable clusters in the family of hydroborates, partly attributed to its unique electronic structure and its thermal and chemical stability. The major challenge in the development of [B10H10]2− chemistry resides in its functionalization via the activation of exo‐polyhedral B−H bonds to B−L bonds to generate attractive molecular construction modules or ‘archetypes’ of useful applications. To date, the closo‐[B10H10]2− cage has been functionalized with a wide range of functional groups ‐L such as halogens, amines, thiols, alkoxy, hydroxyl and multifunctional moieties to yield mono‐ or poly‐substituted borate derivatives. In this review, we present the recent trends in the chemistry of closo‐decaborate with focus on the substitution reactions of hydrogen atoms by various entities.
Functionalized Triphenylene Discotic Molecules: Synthesis and Mesomorphic Characterizations
Authors: Srinivasa H. T. , Hariprasad S. 
Published: June 2022

AbstractWe report the synthesis and characterization of two sets of triphenylene derived discotic molecules with phenol, aldehyde and acid functional groups. In the first set, triphenylene moiety was tethered with benzene derivatives via an ester linkage, while in the second set via an ether linkage with increased aromatic conjugation. All the molecules have triphenylene disc at one end and with benzene, biphenyl and terphenyl cores at the other end connected via flexible methylene spacers. The chemical structures of the novel compounds were confirmed by IR, NMR spectroscopy and CHN analysis methods. Thermal and liquid crystal texture properties were determined using differential scanning calorimetry, polarized optical microscope and X‐ray diffraction studies. Amongst all the novel compounds, only the terphenyl derivative displayed mesomorphism. However, their charge transfer complexes with trinitrofluorenone (TNF) an electron acceptor exhibited columnar mesophases.
Recent Developments in the Synthesis of Indole‐Pyrazole Hybrids
Authors: Fabitha K. , Chandrakanth Munugala , Pramod Rakendu N. , Arya C. G. , Li Yupeng , Banothu Janardhan 
Published: June 2022

AbstractIndole and pyrazole are two important scaffolds in the field of medicinal chemistry. Compounds bearing indole and/or pyrazole moiety have been extensively investigated for a wide range of biological applications. Of them, compounds containing both indole and pyrazole moieties (also termed as indole‐pyrazole hybrids) are of particular interest since synergistic pharmacological activities may be gained comparing to those with each individual pharmacophore. Indole‐pyrazole hybrids can be classified into two general classes of direct‐linked hybrids and spacer‐linked hybrids. For each class, it can be sub‐divided into indole‐C2 pyrazole hybrids, indole‐C3 pyrazole hybrids and indole‐C4/5/6/7 pyrazole hybrids based on the substitution position of pyrazole on the indole moiety. Many types of indole‐pyrazole hybrids have been reported with good antimicrobial, anticancer, antitumor, anti‐inflammatory, anti‐oxidant activities etc. However, no papers have been noted to comprehensively summarize the chemical synthesis of these important indole‐pyrazole hybrids as bioactive compounds except for a few reviews focusing on the synthesis of each individual indole‐ and pyrazole‐containing derivatives. Thus, we here present a comprehensive and updated review focusing on the progress of chemical synthesis of all types of indole‐pyrazole hybrids in order to provide a better understanding of the indole‐pyrazole hybrids to researchers in the fields of synthetic chemistry and to facilitating drug development.