bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unique Health Care Delivery Considerations in Rural America
Authors: Palmer Kaitlyn , Cochran Jill , McGinley Marisa 
Published: February 2025

ABSTRACT
Rural regions face significant health care disparities, including decreased access to insurance, increased access barriers to specialty care, worse medical outcomes, and increased mortality rates. People with multiple sclerosis (MS) residing in rural regions in the United States, as well as globally, face similar barriers to accessing MS care and experience poorer disease outcomes. Barriers to health care access include cultural and financial constraints, scarcity of services, a lack of trained physicians, insufficient public transport, and poor availability of broadband internet service. The Appalachian region, which contains a high degree of rurality, experiences increased disparities compared with the rest of the nation and can be used to highlight the unique challenges rural populations face. Appalachian residents can identify as private, and mistrust is a major factor in providing health care. Increasing the quantity and retention of Appalachian providers is essential to building trust. Still, it has proved difficult due to issues with compensation, taxes, malpractice fees, adverse actions against physicians, and high turnover rates. Telehealth interventions such as Project ECHO (Extension for Community Healthcare Outcomes) have improved rural outcomes in multiple diseases, including MS, but limited technology and technological literacy in rural areas impede the implementation of these interventions. Given the increasing rural population and ongoing disparities these communities face, there is a need to develop targeted interventions to improve access and outcomes in rural populations.
Tailoring Multiple Porosities of Hierarchical ZSM‐5 Zeolites by Carbon Dots for High‐Performance Catalytic Transformation
Authors: Zhao Shufang , Kim Kyung Duk , Wang Lizhuo , Ryoo Ryong , Huang Jun 
Published: November 2020

AbstractA simple and high‐efficiency method is proposed to synthesize hierarchical ZSM‐5 zeolites with micropore and multistage mesopores by adopting water‐soluble carbon dots (CDots) with various size distributions, such as 1‐stage size distribution of CDots‐1 of around 23 nm, 2‐stage size distribution of CDots‐2 of 6 and 9 nm, 3‐stage size distribution of CDots‐3 of 5, 8, and 18 nm. The abundant OH and COOH groups on the surface of CDots provide high solubility in water. The characterization techniques confirmed that the dual‐porous h‐ZSM‐5 (MIcro–mEsopores) and multi‐porous h‐ZSM‐5 (MIcro–mEso–mEsopores), h‐ZSM‐5 (MIcro–mEso–mEso–mEsopores, M‐IEEE) catalysts are obtained. Notably, the hierarchical ZSM‐5(M‐IEEE) catalyst with micropore of 0.55 nm, two small mesopores of 4.8 and 7.4 nm, and one large mesopore of 17.5 nm show excellent catalytic performance with the highest 1,3,5‐triisopropylbenzene (TIPB) cracking conversion (97.3%) and high stability. Similarly, the h‐ZSM‐5(M‐IEEE) shows the high ethanol to olefins conversion (100%). The improved catalytic activity can be attributed to the more efficient diffusion of reactants and products in the crystals with the help of multistage mesopores, improved anti‐coking stability, combined with the effect of suitable acidity, and the increased accessibility of the acid sites.
Site‐Selective Pd‐Catalysed Fujiwara‐Moritani type Reaction of N,S‐Heterocyclic Systems with Olefins
Authors: Danton Fanny , Najjar Riham , Othman Mohamed , Lawson Ata Martin , Moncol Ján , Ghinet Alina , Rigo Benoît , Oulyadi Hassan , Daïch Adam 
Published: November 2020

AbstractDihydro‐1,4‐thiazine skeletons bearing olefin fragment at their α‐position were prepared through a Pd(OAc)2‐catalysed Fujiwara‐Moritani type reaction via C−H alkenylation with olefins. This approach is selective, generalizable to a wide range of olefins and requires only 1 eq. of Ag2CO3 without the need of co‐oxidant. The C−H bond activation proved to be strongly dependent on the olefin's substitution while unfused dihydro‐1,4‐thiazines seemed to be affected by the oxidation state of the sulfur atom. The utility of olefins obtained was demonstrated by their implication in the dipolar cycloaddition reaction with a non‐stabilized azomethine ylide.magnified image
A Stable Triplet‐Ground‐State Conjugated Diradical Based on a Diindenopyrazine Skeleton
Authors: Wang Zi‐Yuan , Dai Ya‐Zhong , Ding Li , Dong Bo‐Wei , Jiang Shang‐Da , Wang Jie‐Yu , Pei Jian 
Published: November 2020

AbstractHigh‐spin conjugated radicals have great potential in magnetic materials and organic spintronics. However, to obtain high‐spin conjugated radicals is still quite challenging due to their poor stability. We report the successful synthesis and isolation of a stable triplet conjugated diradical, 10,12‐diaryldiindeno[1,2‐b:2′,1′‐e]pyrazine (m‐DIP). With the m‐xylylene analogue skeleton containing electron‐deficient sp2‐nitrogen atoms, m‐DIP displays significant aromatic character within its pyrazine ring and its spin density mainly delocalizes on the meta‐pyrazine unit, making it a triplet ground state conjugated diradical. Our work provides an effective “spin density tuning” strategy for stable high‐spin conjugated radicals.
Manganese‐Catalyzed Asymmetric Hydrogenation of Quinolines Enabled by π–π Interaction**
Authors: Liu Chenguang , Wang Mingyang , Liu Shihan , Wang Yujie , Peng Yong , Lan Yu , Liu Qiang 
Published: November 2020

AbstractThe non‐noble metal‐catalyzed asymmetric hydrogenation of N‐heteroaromatics, quinolines, is reported. A new chiral pincer manganese catalyst showed outstanding catalytic activity in the asymmetric hydrogenation of quinolines, affording high yields and enantioselectivities (up to 97 % ee). A turnover number of 3840 was reached at a low catalyst loading (S/C=4000), which is competitive with the activity of most effective noble metal catalysts for this reaction. The precise regulation of the enantioselectivity were ensured by a π–π interaction.
Palladium‐Catalyzed Site‐Selective [3+2] Annulation via Benzylic and meta C−H Bond Activation
Authors: He Qiyuan , Chatani Naoto 
Published: November 2020

AbstractThe palladium‐catalyzed [3+2] annulation of aromatic amides with maleimides via the activation of ortho benzylic C−H and meta C−H bonds is reported. Carboxamide and anilide type substrates that contain a 2‐methylthiophenyl group both participate in this [3+2] annulation, indicating that the presence of a 2‐methylthiophenyl directing group is a key for the success of the reaction. The first C−H bond activation at the benzylic C−H bond is followed by a second C−H bond activation at the meta C−H bond to give five‐membered cyclic products. The cleavage of these C−H bonds is irreversible.
The nonisothermal two‐phase model based on mixed convection in passive μDMFC
Authors: Wang Luwen , Yuan Zhenyu 
Published: November 2020

AbstractDuring the working process of passive microdirect methanol fuel cell (μDMFC), the characteristics of inverse movement between two‐phase substances are quite distinct from macro gas–liquid inverse movement, including electrochemical reactions, electrical drag, multicomponent diffusion, evaporation, and condensation. Due to the complexity of internal operation system of μDMFC, it is difficult to monitor and analyze dynamic property currently only by experiment. Therefore, in this paper, an integrated and accurate prediction model to explore two‐phase transmission is build up, to investigate different effects by varying parameters, and to maximize cell performance. First, the accuracy of the simulation is proved by experimental tests. Then, a comprehensive, two‐phase mass transfer model of passive DMFC is established. The methanol concentration, oxygen concentration, cathode and anode flow velocity and pressure distribution, potential distribution, and anode saturation distribution are studied. Moreover, a nonisothermal model considering the natural convection in the anode is established, the velocity field in the tank, the temperature distribution of the cell, the methanol distribution, and the temperature distribution on the anode catalyst layer is optimized. The research results can provide accurate theoretical support for fuel cell internal component preparation and μDMFC portable applications.
A High‐Efficiency Hematite Photoanode with Enhanced Bonding Energy Around Fe Atoms
Authors: Lan Yangchun , Kang Shuai , Cui Dehu , Hu Zhuofeng 
Published: November 2020

AbstractHematite nanoarrays are important photoanode materials. However, they suffer from serious problems of charge transfer and surface states; in particular, the surface states hinder the increase in photocurrent. A previous strategy to suppress the surface state is the deposition of an Fe‐free metal oxide overlayer. Herein, from the viewpoint of atomic bonding energy, it is found that the strength of bonding around Fe atoms in the hematite is the key to suppressing the surface states. By treating the surface of hematite with Se and NaBH4, the Fe2O3 transforms to a double‐layer nanostructure. In the outer layer, the Fe−O bonding is reinforced and the Fe−Se bonding is even stronger. Therefore, the surface states are inhibited and the increase in the photocurrent density becomes much faster. Besides, the treatment constructs a nanoscale p–n junction to promote the charge transfer. Improvements are achieved in onset potential (0.25 V shift) and in photocurrent density (5.8 times). This work pinpoints the key to suppressing the surface states and preparing a high‐efficiency hematite nanoarray, and deepens our understanding of hematite photoanodes.
Circularly Polarized Luminescence of a Stereogenic Curved Paraphenylene Anchoring a Chiral Binaphthyl in Solution and Solid State
Authors: Sato Kenta , Hasegawa Masashi , Nojima Yuki , Hara Nobuyuki , Nishiuchi Tomohiko , Imai Yoshitane , Mazaki Yasuhiro 
Published: November 2020

AbstractInvited for the cover of this issue are Masashi Hasegawa, Yoshitane Imai, Yasuhiro Mazaki and co‐workers at Kitasato University, Kindai University and Osaka University. The image depicts a stereogenic twisted cycloparaphenylene that exhibits circularly polarized luminescence in a polymethyl methacrylate thin film. Read the full text of the article at 10.1002/chem.202004283.
DFT and IsoStar Analyses to Assess the Utility of σ‐ and π‐Hole Interactions for Crystal Engineering
Authors: Mooibroek Tiddo Jonathan 
Published: November 2020

AbstractThe interpretation of 36 charge neutral ‘contact pairs’ from the IsoStar database was supported by DFT calculations of model molecules 1–12, and bimolecular adducts thereof. The ‘central groups’ are σ‐hole donors (H2O and aromatic C−I), π‐hole donors (R−C(O)Me, R−NO2 and R−C6F5) and for comparison R−C6H5 (R=any group or atom). The ‘contact groups’ are hydrogen bond donors X−H (X=N, O, S, or R2C, or R3C) and lone‐pair containing fragments (R3C−F, R−C≡N and R2C=O). Nearly all the IsoStar distributions follow expectations based on the electrostatic potential of the ‘central‐’ and ‘contact group’. Interaction energies (ΔEBSSE) are dominated by electrostatics (particularly between two polarized molecules) or dispersion (especially in case of large contact area). Orbital interactions never dominate, but could be significant (∼30 %) and of the n/π→σ*/π* kind. The largest degree of directionality in the IsoStar plots was typically observed for adducts more stable than ΔEBSSE≈−4 kcal⋅mol−1, which can be seen as a benchmark‐value for the utility of an interaction in crystal engineering. This benchmark could be met with all the σ‐ and π‐hole donors studied.
Effects of bedrock groundwater discharge on spatial variability of dissolved carbon, nitrogen, and phosphorous concentrations in stream water within a forest headwater catchment
Authors: Egusa Tomohiro , Kumagai Tomo'omi , Oda Tomoki , Ohte Nobuhito 
Published: November 2020

AbstractThe quantitative evaluation of the effects of bedrock groundwater discharge on spatial variability of stream dissolved organic carbon (DOC), dissolved inorganic nitrogen (DIN) and dissolved inorganic phosphorous (DIP) concentrations has still been insufficient. We examined the relationships between stream DOC, DIN and DIP concentrations and bedrock groundwater contribution to stream water in forest headwater catchments in warm‐humid climate zones. We sampled stream water and bedrock springs at multiple points in September and December 2013 in a 5 km2 forest headwater catchment in Japan and sampled groundwater in soil layer in small hillslopes. We assumed that stream water consisted of four end members, groundwater in soil layer and three types of bedrock groundwater, and calculated the contributions of each end member to stream water from mineral‐derived solute concentrations. DOC, DIN and DIP concentrations in stream water were compared with the calculated bedrock groundwater contribution. The bedrock groundwater contribution had significant negative linear correlation with stream DOC concentration, no significant correlation with stream DIN concentration, and significant positive linear correlation with stream DIP concentration. These results highlighted the importance of bedrock groundwater discharge in establishing stream DOC and DIP concentrations. In addition, stream DOC and DIP concentrations were higher and lower, respectively, than those expected from end member mixing of groundwater in soil layer and bedrock springs. Spatial heterogeneity of DOC and DIP concentrations in groundwater and/or in‐stream DOC production and DIP uptake were the probable reasons for these discrepancies. Our results indicate that the relationships between spatial variability of stream DOC, DIN and DIP concentrations and bedrock groundwater contribution are useful for comparing the processes that affect stream DOC, DIN and DIP concentrations among catchments beyond the spatial heterogeneity of hydrological and biogeochemical processes within a catchment.
Numerical and experimental investigations on aggradation and degradation in irrigation canals accounting for infiltration*
Authors: Rohilla Kapil , Kumar Sanjay , Kumar Pardeep 
Published: November 2020

AbstractA numerical model was used in the present study to predict aggradation, degradation, and subsurface moisture content in irrigation canals. The numerical model solved Saint‐Venant and sediment continuity equations to analyse overland flow and sediment transport, whereas Richard's equation was used to analyse subsurface movement of water. Saint‐Venant and sediment continuity equations were solved by using the MacCormack scheme based on the finite difference method, and the Richard's equation was solved by using a mass‐conservative fully implicit finite difference method. Extensive irrigation canal experiments involving measurement of aggradation, degradation, and subsurface moisture content were conducted to assess the performance of the numerical model. The predicted aggradation and degradation represented a good agreement with data recorded in laboratory. Soil moisture profiles were estimated for sediment‐laden water and clear water conditions in irrigation canals. But the effect of sediment‐laden water on the moisture profiles was observed as insignificant. The observed and the model‐predicted soil moisture varied marginally as the observed moisture was attributed to errors during the collection of soil samples from the experimental field.
MicroRNA‐223 triggers inflammation in porcine aorta by activating NLRP3 inflammasome under selenium deficiency
Authors: Qing Zhang , Kaixin Zhang , Yanfei Han , Yiming Zhang , Hua Xue , Ling Zhou , Guangliang Shi , Shu Li 
Published: November 2020

AbstractSelenium (Se) is an essential trace element in organism. Se deficiency can cause many diseases, including vascular disease. Studies have shown that inflammation is the main inducement of vascular disease, microRNA (miRNA) can influence inflammation in various ways, and Se deficiency can affect miRNAs expression. To study the mechanism of aorta damage caused by Se deficiency, we constructed a Se deficiency porcine aorta model and found that Se deficiency can significantly inhibit miR‐223, which downregulates the expression of nucleotide‐binding oligomerization domain‐like receptor family 3 (NLRP3). Subsequently, we found that in Se deficiency group, NLRP3, and its downstream (caspase‐1, apoptosis‐related spot‐like protein [ASC], IL‐18, IL‐1β) expression was significantly increased. In vitro, we cultured pig iliac endothelium cell lines, and constructed miR‐223 knockdown and overexpression models. NLRP3 messenger RNA and protein levels were significant increased in the knockdown group, and decreased in the overexpression group. The results of this study show that Se deficiency in porcine arteries can induce inflammation through miR‐223/NLRP3.
Evaluation of enamel loss by scanning electron microscopy after debonding brackets place with four different adhesives
Authors: Rodríguez‐Chávez Jacqueline Adelina , Arenas‐Alatorre Jesús Ángel , Flores‐Ruiz Hugo M. , Flores‐Ledesma Abigailt , Aguilar‐Pérez Fernando Javier 
Published: November 2020

AbstractThe clinically adequate shear bond strengths (SBS) should be from 2.8 to 10 MPa. The aim of this research is to observe tooth enamel loss through a scanning electron microscope (SEM) during the debonding of braces of four adhesive systems. Then, 100 premolars were used in 4 groups of 25 specimens each, for Transbond MIP (G1), Enlight (G2), Stylus (G3), and Transbond Plus SEP (G4). The research was done under the NOM ISO/TS 11405:2015. Gemini 3M were placed under the manufacturer's recommendations. The SBS test was done at 24 hr in an Instron electromechanical universal testing machine at 1 mm/1 min. Adhesive remnant index (ARI) was measured, all of the brackets where examined in the SEM. For the shear bonding strength G1 = 10.09 ± 2.73 MPa, G2 = 9.27 ± 3.99 MPa, G3 = 7.83 ± 4.46 MPa, and G4 = 6.40 ± 2.85 MPa statistically significant differences were found when comparing the four groups (p = .002). In the Tukey post hoc test, G1 versus G4 and G2 versus G4, statistically significant differences were found. For the ARI a value of 1 in 46%, followed by a value of 2 in 38%, a value of 3 in 13% and a value of 0 in 3% of the total samples, finding statistically significant differences (p < .001). In relation to the tooth enamel loss due to SBS, statistically significant differences were found (p = .326). G1 and G4 had not statistically significant differences. Even though our results concur with the appropriate clinical values, we observed tooth enamel loss with Transbond Plus SEP and Stylus.
Element‐free Galerkin numerical mode‐matching method for static and time‐harmonic electromagnetic fields in orthogonal‐plano‐cylindrically layered media
Authors: Dun Yueqin , Zeng Shubin , Chen Jiefu 
Published: November 2020

AbstractThis paper combines the numerical mode‐matching (NMM) method with the element‐free Galerkin (EFG) method for the efficient modeling of electromagnetic waves in cylindrically layered media with multiple horizontal beds. In the implementation of the conventional NMM scheme, finite element method (FEM) is commonly used to discretize the radial direction. To improve the efficiency for the discretization along the radial direction, EFG method is utilized instead to construct the element‐free Galerkin NMM (EFG‐NMM) scheme. As a meshless method, EFG scheme avoids the complexity of mesh generation as well as improves the numerical accuracy compared to FEM. The EFG‐NMM scheme is developed for both static and time‐harmonic electromagnetic waves. Excellent agreement between EFG‐NMM and FEM‐NMM is verified by simulating different numerical examples.
Hydrogel‐Forming Microneedles: Current Advancements and Future Trends
Authors: Turner Joseph G. , White Leah R. , Estrela Pedro , Leese Hannah S. 
Published: November 2020

AbstractIn this focused progress review, the recent developments and trends of hydrogel‐forming microneedles (HFMs) and potential future directions are presented. Previously, microneedles (solid, hollow, coated, and dissolving microneedles) have primarily been used to enhance the effectiveness of transdermal drug delivery to facilitate a wide range of applications such as vaccinations and antibiotic delivery. However, the recent trend in microneedle development has resulted in microneedles formed from hydrogels which have the ability to offer transdermal drug delivery and, due to the hydrogel swelling nature, passively extract interstitial fluid from the skin, meaning they have the potential to be used for biocompatible minimally invasive monitoring devices. Thus, in this review, these recent trends are highlighted, which consolidate microneedle design considerations, hydrogel formulations, fabrication processes, applications of HFMs and the potential future opportunities for utilizing HFMs for personalized healthcare monitoring and treatment.
Mathematical modeling for novel coronavirus (COVID‐19) and control
Authors: Alqarni Marei Saeed , Alghamdi Metib , Muhammad Taseer , Alshomrani Ali Saleh , Khan Muhammad Altaf 
Published: November 2020

AbstractIn the present investigations, we construct a new mathematical for the transmission dynamics of corona virus (COVID‐19) using the cases reported in Kingdom of Saudi Arabia for March 02 till July 31, 2020. We investigate the parameters values of the model using the least square curve fitting and the basic reproduction number is suggested for the given data is ℛ0 ≈ 1.2937. The stability results of the model are shown when the basic reproduction number is ℛ0 < 1. The model is locally asymptotically stable when ℛ0 < 1. Further, we show some important parameters that are more sensitive to the basic reproduction number ℛ0 using the PRCC method. The sensitive parameters that act as a control parameters that can reduce and control the infection in the population are shown graphically. The suggested control parameters can reduce dramatically the infection in the Kingdom of Saudi Arabia if the proper attention is paid to the suggested controls.
On‐line coupling pressurised liquid extraction with two‐dimensional counter current chromatography for isolation of natural acetylcholinesterase inhibitors from Astragalus membranaceus
Authors: Li Sainan , Liu Chunming , Zhang Yuchi , Tsao Rong 
Published: November 2020

AbstractIntroductionRadix Astragali, the dried root of Astragalus membranaceus (Fish.) Bge. (family Fabaceae), which is known as Huangqi in China, has been proven to be an immunostimulant, diuretic, antidiabetic, analgesic, and it has also been used as a health food supplement in some Asian populations and also serves as a lead herb in many traditional Chinese medicine formulations as well as in Chinese ethnic tonifying soups.ObjectiveScreening and purification of bioactive compounds from natural products is challenging work due to their complexity. We present the first report on the use of pressurised liquid extraction and on‐line two‐dimensional counter current chromatography as an efficient medium for scaled‐up extraction and separation of six bioactive compounds from Astragalus membranaceus.MethodWe applied the established method with ultrafiltration‐liquid chromatography to screen acetylcholinesterase inhibitors, which were then evaluated and confirmed for anti‐Alzheimer activity using PC12 cell model.ResultsSix major compounds, namely, calycosin‐7‐O‐β‐d‐glucoside, pratensein‐7‐O‐β‐d‐glucoside, formononetin‐7‐O‐β‐d‐glucoside, calycosin, genistein, and formononetin, with acetylcholinesterase binding affinities were identified and isolated from the raw plant materials via two sets of n‐hexane/ethyl acetate/0.2% acetic acid (first‐stage counter current chromatography) and n‐hexane/ethyl acetate/methanol/water (second‐stage counter current chromatography) solvent systems: 1.87:1.0:1.33 and 5.62:1.0:2.42:5.25, v/v/v/v, which were optimised by a mathematical model.ConclusionTherefore, a useful platform for the large‐scale production of bioactive and nutraceutical ingredients was developed herein. With the on‐line system developed here, we present a feasible, selective, and effective strategy for rapid screening and identification of enzyme inhibitors from complex mixtures.