bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Nanomedicine Fabricated from Gold Nanoparticles‐Decorated Metal–Organic Framework for Cascade Chemo/Chemodynamic Cancer Therapy
Authors: Ding Yuan , Xu Hao , Xu Chang , Tong Zongrui , Zhang Sitong , Bai Yang , Chen Yining , Xu Qianhui , Zhou Liuzhi , Ding Hao , Sun Zhongquan , Yan Sheng , Mao Zhengwei , Wang Weilin 
Published: June 2020

AbstractThe incorporation of new modalities into chemotherapy greatly enhances the anticancer efficacy combining the merits of each treatment, showing promising potentials in clinical translations. Herein, a hybrid nanomedicine (Au/FeMOF@CPT NPs) is fabricated using metal–organic framework (MOF) nanoparticles and gold nanoparticles (Au NPs) as building blocks for cancer chemo/chemodynamic therapy. MOF NPs are used as vehicles to encapsulate camptothecin (CPT), and the hybridization by Au NPs greatly improves the stability of the nanomedicine in a physiological environment. Triggered by the high concentration of phosphate inside the cancer cells,Au/FeMOF@CPT NPseffectively collapse after internalization, resulting in the complete drug release and activation of the cascade catalytic reactions. The intracellular glucose can be oxidized by Au NPs to produce hydrogen dioxide, which is further utilized as chemical fuel for the Fenton reaction, thus realizing the synergistic anticancer efficacy. Benefitting from the enhanced permeability and retention effect and sophisticated fabrications, the blood circulation time and tumor accumulation ofAu/FeMOF@CPT NPsare significantly increased. In vivo results demonstrate that the combination of chemotherapy and chemodynamic therapy effectively suppresses the tumor growth, meantime the systemic toxicity of this nanomedicine is greatly avoided.
MXenes for Non‐Lithium‐Ion (Na, K, Ca, Mg, and Al) Batteries and Supercapacitors
Authors: Aslam Muhammad Kashif , Niu Yubin , Xu Maowen 
Published: June 2020

AbstractThe 2019 Nobel Prize in Chemistry for lithium‐ion batteries is a powerful confirmation of the importance of portable energy storage devices, which will further promote collaborative innovation in the field of new energy storage. Non‐lithium rechargeable energy storage technologies are attracting attention due to their low cost and high energy densities. However, electrochemical performance depends upon the inherent properties of the electrodes. In recent decades, 2D materials have been extensively investigated owing to their unique physical and chemical properties. One of the typical representatives is the MXenes with good electrochemical properties, which have become popular material in the field of energy storage in recent years. The discovery of MXene with metal solution, expanded interlayer‐spacing and tamperable surface termination offers a valuable strategy to discover MXenes with new structures. These flexible properties of MXene allow the tuning of properties for energy storage technologies. Here, the synthesis, structure, properties and applications of MXenes in non‐lithium energy storage technologies are reviewed, and a comprehensive outlook and personal perspective on the future development of MXene in the energy storage system are also presented.
Correlations between dental wear and oral cavity characteristics: Mandibular torus, palatine torus, and oral exostoses
Authors: Lease Loren R. 
Published: June 2020

AbstractObjectiveThis study evaluates the correlations amongst mandibular torus, palatine torus, oral exostoses to dental wear/loss and temporomandibular damage.MethodsThe sample consists of 504 skulls from the Hamann‐Todd Osteological Collection; 223 African American and 281 European Americans aged between 30 and 80 years. The sample was analyzed using Pearson's Chi‐square for significance of sex, age, ancestry, and wear as well as the interactions between the demographic variables and the presence of mandibular torus, palatine torus and oral exostoses.ResultsWear was statistically significant by age and sex but not ancestry. The maxillary exostoses varied significantly by age, ancestry and wear but not sex. Mandibular torus frequencies varied significantly by wear, sex and ancestry. The palatine torus varied significantly across wear groups, sex and ancestry.DiscussionThe etiology of nonmetric oral cavity characteristics, mandibular torus, palatine torus and oral exostosis, is complex. The degree to which traits' presence and expression is the result of genetic and environmental interactions is not fully understood. More than age, sex or ancestry, the degree of dental wear and tooth loss influences the presence and expression of the oral cavity traits. The sample can be characterized as the presence of exostoses in higher frequencies in young African American males with little tooth loss. Males of both ancestral groups with heavy wear have higher frequencies of mandibular tori than females. The palatine torus is more common in edentulous European American females.
Differential occupational risk for COVID‐19 and other infection exposure according to race and ethnicity
Authors: Hawkins Devan 
Published: June 2020

AbstractBackgroundThere are racial and ethnic disparities in the risk of contracting COVID‐19. This study sought to assess how occupational segregation according to race and ethnicity may contribute to the risk of COVID‐19.MethodsData about employment in 2019 by industry and occupation and race and ethnicity were obtained from the Bureau of Labor Statistics Current Population Survey. This data was combined with information about industries according to whether they were likely or possibly essential during the COVID‐19 pandemic and the frequency of exposure to infections and close proximity to others by occupation. The percentage of workers employed in essential industries and occupations with a high risk of infection and close proximity to others by race and ethnicity was calculated.ResultsPeople of color were more likely to be employed in essential industries and in occupations with more exposure to infections and close proximity to others. Black workers in particular faced an elevated risk for all of these factors.ConclusionOccupational segregation into high‐risk industries and occupations likely contributes to differential risk with respect to COVID‐19. Providing adequate protections to workers may help to reduce these disparities.
Pd(II)‐Catalyzed, Bidentate Directing Group‐aided Alkylation of sp3 γ‐C−H Bonds: Access to 3‐Alkylated Thiophene/Furan and Benzothiophene/Benzofuran Motifs
Authors: Bisht Narendra , Babu Srinivasarao Arulananda , Tomar Radha 
Published: June 2020

AbstractWe report the Pd(II)‐catalyzed bidentate directing group 8‐aminoquinoline‐aided sp3 γ‐C−H alkylation of 3‐methyl‐ thiophene/furan‐2‐carboxylic acid and 3‐methyl‐ benzothiophene/benzofuran‐2‐carboxylic acid systems. While the 8‐aminoquinoline‐aided sp3 γ‐C−H functionalization including arylation or amidation or amination of carboxylic acid derivatives are well known, however, the Pd(II)‐catalyzed bidentate directing group 8‐aminoquinoline‐aided sp3 γ‐C−H alkylation is not explored. Notably, 2‐ and/or 3‐alkylated thiophene/furan and benzothiophene/benzofuran motifs are found in pharmaceutically active molecules. Accordingly, this work reveals the scope of the 8‐aminoquinoline‐aided sp3 γ‐C−H alkylation method, and its usefulness by enriching the libraries of 3‐alkylated thiophene/furan and benzothiophene/benzofuran motifs.
Utilizing auxology to understand ontogeny of extinct hominins: A case study on Homo naledi
Authors: Bolter Debra R. , Cameron Noel 
Published: June 2020

AbstractThe methods used to study human growth and development (auxology) have not previously been applied within the setting of hominin maturation (ontogeny). Ontogeny is defined here as the pattern of biological change into an adult form, both at the individual and species level. The hominin fossil record has a lack of recovered immature materials, due to such factors as taphonomic processes that destroy pre‐adults; the fragility of immature compared to adult bone; and the lower mortality rates of juveniles compared to adults. The recent discovery of pre‐adult hominin skeletal material from a single, homogeneous Homo naledi species from the Rising Star cave system in South Africa provides the opportunity for a broader application of auxology methods and thus the need to understand their use in a modern context. Human auxology studies benefit from a robust database, across multiple populations, and with longitudinal studies in order to assess the patterns and variations in typical growth, development and life history stages. Here, we review the approach, vocabulary, and methods of these human studies, investigate commonalities in data with the fossil record, and then advance the reconstruction of ontogeny for the extinct hominin species H. naledi. To this end, we apply an auxology model into the paleontological context to broadly predict H. naledi birthweight of the offspring at 2.06 kg with a range (±1 SD) of 1.89 to 2.24 kg, with a length at birth 45.5 cm. We estimate a H. naledi juvenile partial skeleton DH7 to be a height of 111–125 cm at death.
N‐Annulated Perylene Bisimides to Bias the Differentiation of Metastable Supramolecular Assemblies into J‐ and H‐Aggregates
Authors: Greciano Elisa E. , Calbo Joaquín , Ortí Enrique , Sánchez Luis 
Published: June 2020

AbstractThe unique self‐assembling features of N‐annulated perylene bisimides (PBIs) 1 and 2 are reported. The stability of the aggregates of diester 1, in which no H‐bonding interactions are operative, corroborates the significance of long‐range van der Waals and dipole–dipole electrostatic interactions in the construction of stable supramolecular assemblies. The incorporation of amide functional groups within the N‐annulated PBI in 2 stimulates pathway differentiation to achieve up to three J‐type aggregates and a fourth H‐type aggregate depending on the experimental conditions. The results presented demonstrate unprecedented levels of control over synthetic supramolecular self‐assembly and the rich differentiation that N‐annulated PBIs exhibit, opening the door to new, complex, functional supramolecular materials.
Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements
Authors: Bauzá Antonio , Alkorta Ibon , Elguero José , Mooibroek Tiddo J. , Frontera Antonio 
Published: June 2020

AbstractThe term spodium (Sp) bond is proposed to refer to a net attractive interaction between any element of Group 12 and electron‐rich atoms (Lewis bases or anions). These noncovalent interactions are markedly different from coordination bonds (antibonding Sp–ligand orbital involved). Evidence is provided for the existence of this interaction by calculations at the RI‐MP2/aug‐cc‐pVTZ level of theory, atoms‐in‐molecules, and natural bond orbital analyses and by examining solid‐state structures in the Cambridge Structure Database.
Wetting Phenomena and their Effect on the Electrochemical Performance of Surface‐Tailored Lithium Metal Electrodes in Contact with Cross‐linked Polymeric Electrolytes
Authors: Zhang Mengyi , Becking Jens , Stan Marian Cristian , Lenoch Arthur , Bieker Peter , Kolek Martin , Winter Martin 
Published: June 2020

AbstractLi metal batteries (LMBs) containing cross‐linked polymer electrolytes (PEs) are auspicious candidates for next‐generation batteries. However, the wetting behavior of PEs on uneven Li metal surfaces has been neglected in most studies. Herein, it is shown that microscale defect sites with curved edges play an important role in a wettability‐dependent electrodeposition. The wettability and the viscoelastic properties of PEs are correlated, and the impact of wettability on the nucleation and diffusion near the Li|PE interface is distinguished. It is found that the curvature of the edges is a key factor for the investigation of wetting phenomena. The appearance of microscale defects and phase separation are identified as main causes for erratic nucleation. It is emphasized that the implementation of stable and consistent long‐term cycling performance of LMBs using PEs requires a deeper understanding of the “soft‐solid”–solid contact between PEs and inherently rough Li metal surfaces.
N‐Substituted pyrimidinethione and acetophenone derivatives as a new therapeutic approach in diabetes
Authors: Taslimi Parham , Sujayev Afsun , Karaman Muhammet , Maharramova Gunel , Sadeghian Nastaran , Osmanova Sabiya , Sardarova Sabira , Majdi Nargiz , Ozel Handan U. , Gulcin İlhami 
Published: June 2020

AbstractIn this study, compounds with 4‐hydroxybutyl, 4‐phenyl, 5‐carboxylate, and pyrimidine moieties were determined as α‐glycosidase inhibitors. N‐Substituted pyrimidinethione and acetophenone derivatives (A1–A5, B1–B11, and C1–C11) were good inhibitors of the α‐glycosidase enzyme, with Ki values in the range of 104.27 ± 15.75 to 1,004.25 ± 100.43 nM. Among them, compound B7 was recorded as the best inhibitor, with a Ki of 104.27 ± 15.75 nM against α‐glycosidase. In silico studies were carried out to clarify the binding affinity and interaction mode of the compounds with the best inhibition score against α‐glycosidase from Saccharomyces cerevisiae. Compounds B7 (S) and B11 (R) exhibited a good binding affinity with docking scores of −8.608 and 8.582 kcal/mol, respectively. The docking results also showed that the 4‐hydroxybutyl and pyrimidinethione moieties play a key role in S. cerevisiae and human α‐glycosidase inhibition.
Attitudes of Anatomy Students toward Commemorations for Body Donors: A Multicultural Perspective
Authors: El‐Haddad Joyce , Prvan Tania , Štrkalj Goran 
Published: June 2020

Many medical schools practice commemorative ceremonies to honor body donors. Attitudes of medical education stakeholders toward these ceremonies have not yet been fully investigated. The aim of this study was to explore anatomy students' attitudes toward commemorations at a multicultural institution which has not introduced these ceremonies yet. A survey was carried out on different groups of anatomy students that were exposed and not yet exposed to human remains. The survey was used to record basic demographic data from the respondents, ask if they would support the establishment of an anatomy commemoration and in which format. A total of 756 anatomy students participated in the survey (response rate 69.8%). The majority (76.3%) were in favor of introducing a commemoration for donors. The associations of students' gender, attitude toward body donation, and level of exposure to human remains with attitudes toward commemoration for donors were identified (P < 0.05), whereas ethnicity and religion seemed to have no influence on attitudes (P > 0.05). Most students believed that anatomy staff and students should organize the commemoration. There was a preference for the commemoration to be secular with revealed identities of donors, and not recorded for social media. The support for the establishment of commemorations transcended cultural and religious differences and confirmed students' respectful attitude toward donors. Anatomy commemorations seem to have potential not only to engage students with one another, and donor families, but also to pave the way for students to become life‐long ethical and empathetic learners and practitioners.
Characteristics and main influence factors of heat waves in Beijing–Tianjin–Shijiazhuang cities of northern China in recent 50 years
Authors: Zheng Zuofang , Xu Guirong , Wang Yaoting , Li Qingchun , Li Jiangbo 
Published: June 2020

AbstractHeat wave is serious natural disaster that can harm human health and affect social economy, transportation and ecological environment. This paper investigates the long term trends of high temperature events in three major cities (Beijing, Tianjin and Shijiazhuang) of northern China during 1970–2019, and quantifies the contributions of main influencing factors to the variability of high temperature days. High temperature events in Beijing–Tianjin–Shijiazhuang cities mainly occur from June to July and account for 60–65% of the annual total, showing a significant upward trend in the interannual change. There is a trend of high temperature events starting early and ending late in recent 50 years, and this trend is intensified by the increasing urbanization. Due to geographical location and city scale, the frequency and intensity of high temperature events show difference among Beijing, Tianjin and Shijiazhuang cities. Variance analysis shows that climate warming contributes 20.2–25.5% to the variability of high temperature days, while urban heat island accounts for 14.7–24.2%, equal to the sum of the contributions from atmospheric circulation and solar activity.
Fabrication of a biomimetic spinal cord tissue construct with heterogenous mechanical properties using intrascaffold cell assembly
Authors: Firouzian Kevin F. , Song Yu , Lin Feng , Zhang Ting 
Published: June 2020

AbstractIn tissue engineering studies, scaffolds play a very important role in offering both physical and chemical cues for cell growth and tissue regeneration. However, in some cases, tissue regeneration requires scaffolds with high mechanical properties (e.g., bone and cartilage), while cells need a soft mechanical microenvironment. In this study, to mimic the heterogenous mechanical properties of a spinal cord tissue, a biomimetic rat tissue construct is fabricated. A collagen‐coated poly(lactic‐co‐glycolic acid) scaffold is manufactured using thermally induced phase separation casting. Primary rat neural cells (P01 Wistar rat cortex) with soft hydrogels are later printed within the scaffold using an image‐guided intrascaffold cell assembly technique. The scaffolds have unidirectional microporous structure with parallel axial macrochannels (260 ± 4 µm in diameter). Scaffolds showed mechanical properties similar to rat spine (ultimate tensile strength: 0.085 MPa, Young's modulus [stretch]: 0.31 MPa). The bioink composed of gelatin/alginate/fibrinogen is precisely printed into the macrochannels and showed mechanical properties suitable for neural cells (Young's modulus [compressive]: 3.814 kPa). Scaffold interface, cell viability, and immunostaining analyses show uniform distribution of stable, healthy, and elongated neural cells and neurites over 14 culture days in vitro. The results demonstrated that this method can serve as a valuable tool to aid manufacturing of tissue constructs requiring heterogenous mechanical properties for complex cell and/or biomolecule assembly.
Effective connectivity during autobiographical memory search
Authors: Nawa Norberto Eiji , Ando Hiroshi 
Published: June 2020

AbstractIntroductionWe used dynamic causal modeling (DCM) to examine effective connectivity during cued autobiographical memory (AM) search in a left‐hemispheric network consisting of six major regions within the large network of brain regions recruited during memory retrieval processes.MethodsFunctional MRI data were acquired while participants were shown verbal cues describing common life events and requested to search for a personal memory associated with the cue. We examined directed couplings between the ventromedial (vmPFC), dorsomedial (dmPFC), and dorsolateral prefrontal cortices (dlPFC), hippocampus, angular gyrus, and the posterior midline cortex (RSC/PCC/Prec).ResultsDuring AM search, the vmPFC, dlPFC, and RSC/PCC/Prec acted as primary drivers of activity in the rest of the network. Moreover, when AM search completed successfully (Hits), the effective connectivity of the hippocampus on the vmPFC and angular gyrus was up‐modulated. Likewise, there was an increase in the influence of the RSC/PCC/Prec in the activity of the dlPFC and dmPFC. Further analysis indicated that the modulation observed during Hits is primarily a distributed phenomenon that relies on the interplay between different brain regions.ConclusionThese results suggest that prefrontal and posterior midline cortical regions together with the dlPFC largely coordinate the processes underlying AM search, setting up the conditions on which the angular gyrus and the hippocampus may act upon when the outcome of the search is successful.
Using Simulations to Guide the Design of Amperometric Electrochemical Sensors Based on Mediated Electron Transfer
Authors: Elliott Joseph R. , Le Haonan , Yang Minjun , Compton Richard G. 
Published: June 2020

AbstractMediated electron‐transfer sensors provide a practical means of detection for species for whom direct electron‐transfer sensors are impractical. Through the use of numerical simulation, the design and optimisation of mediated electron‐transfer sensors are presented in this work where we specifically consider the mediation as an irreversible process. Comparison is made between sensors employing the mediator as an adsorbed monolayer on the electrode's surface and sensors employing it as a soluble additive to the sample, with the former being concluded as preferable due to improved detection limits and practicality. Studies are performed for the optimisation of the electrode radius, mediating chemical rate constant and scan rate, with consideration also given to the capacitive current. Triangular and semi‐circular sweep voltammetry are compared in the context of mediating electron‐transfer sensor design. It is concluded that competition between the Faradaic and capacitive currents is a primary limitation for this technique.
Tetrathiafulvalene‐Inserted Diphenoquinone: Synthesis, Structure, and Dynamic Redox Property
Authors: Mitsuoka Misaki , Sakamaki Daisuke , Fujiwara Hideki 
Published: June 2020

AbstractA new tetrathiafulvalene (TTF) derivative is synthesized, which is substituted with two phenoxy radicals on one 1,3‐dithiole ring, and may have either open‐shell diradical or closed‐shell extended‐quinoidal ground states. X‐ray single crystal analysis and NMR measurements prove that this molecule has a closed‐shell extended quinoidal structure both in the solid state and in solution. DFT calculations show the donor–acceptor electronic properties of this molecule with a well‐separated HOMO–LUMO distribution and a small HOMO–LUMO energy gap. Because of this donor–acceptor character, this molecule gives both the dication and the dianion species by electrochemical oxidation and reduction. Furthermore, during the redox process between the neutral and dication states, this molecule exhibits unique changes in the cyclic voltammogram upon repeating the cycles or varying the scan rate. The observed electrochemical behavior is explained by the conformational changes in the electrochemically generated species, thus indicating that this molecule is classified as a dynamic redox system.
Carbodicarbene: geminal‐Bimetallic Coordination in Selective Manner
Authors: Au‐Yeung Ka‐Chun , Xiao Dengmengfei , Shih Wei‐Chih , Yang Hsiu‐Wen , Wen Yuh‐Sheng , Yap Glenn P. A. , Chen Wen‐Ching , Zhao Lili , Ong Tiow‐Gan 
Published: June 2020

AbstractThe reaction of Pd(OAc)2 with free carbodicarbene (CDC) generates a Pd acetate trinuclear complex 1 via intramolecular C(sp3)−H bond activation at one of the CDC methyl side arms. The solid structure of 1 reveals the capability of CDC to facilitate a double dative bond with two palladium centers in geminal fashion. This is attributed to the chelating mode of CDC, which can frustrate π‐conjugation within the CDC framework. Such effect maybe also amplified by ligand‐ligand interaction. The formation of other gem‐bimetallic Pd−Pd, Pd−Au, and Ni−Au provides further structural evidence for this proof‐of‐concept in selective installation. Structural analysis is supported by computational calculations based on state‐of‐the‐art energy decomposition analysis (EDA) in conjunction with natural orbitals for chemical valence (NOCV) method.