bluuebunny/crossref_metadata_2025 huggingface dataset:
Two-Dimensional Modeling of Heat Transfers in a Ventilated Test Cell Built with Various Local Materials
Authors: Kaboré Arouna , Vincent Zoma , Kalifa Palm , Joseph Bathiebo Dieudonné
Published: November 2021

The main objective of this work is to find a material that attenuates heat transfer and provides an acceptable indoor environment in the habitat of countries with a hot and dry climate like Burkina Faso. The absence of thermal regulations in Burkina Faso leads to the development of buildings constructed with materials that do not provide thermal comfort. This study therefore aims to compare the thermal performance of local materials such as BLT, BTC, concrete block and adobe in order to propose a material adapted to the hot climate. In this work, a modelling and simulation is conducted with the COMSOL software. The modelling is done on a building of dimensions 4m×3m×3m, built successively with cut laterite block (BLT), compressed earth block (BTC), hollow concrete block, and adobe. As for the simulation, it concerns the evolution of the internal and external temperature of the building. The heat flows on the Northern and Southern sides are neglected due to the overhang of the roof. The results obtained show that the cell built with BTC allows a 4°C reduction, the one built with BLT a 2°C reduction and the one built with adobe a 1.5°C gain compared to the one built with concrete block. Thus, the material that best meets the criteria is BTC.
Ultra‐Stable Phase Change Coatings by Self‐Cross‐Linkable Reactive Poly(ethylene glycol) and MWCNTs
Authors: Cui Junshuo , Li Wenkang , Wang Yuejiao , Yu Haibiao , Feng Xiaogeng , Lou Zhenning , Shan Weijun , Xiong Ying
Published: November 2021

Form‐stable phase change materials (PCMs) have great potential to regulate the unbalanced heat demand and supply, yet most of the PCMs are in powder, plate, or bulk rigid forms, difficult to adhere to the heat source or target substrates. Herein, PCMs coatings based on reactive poly(ethylene glycol) (RPEG) are developed for direct thermal energy exchange and storage. RPEG with highly reactive silanol groups is obtained by reaction of PEG with 3‐isocyanatopropyltriethoxysilane (IPTS), followed by hydrolyzation in weak acid. Cross‐linked PCMs coatings are obtained on various substrates, including cotton fabric, wood, tinplate, and even irregular objects. The coatings show obvious solid‐solid phase transition properties and high energy storage densities (142.8 J g−1). Multi‐walled carbon nanotubes (MWCNTs) are further doped into the coatings aided by a self‐cross‐linkable dispersant. The composite coatings exhibit excellent high‐temperature form stability and rapid thermal exchange properties owing to the formation of the cross‐linked network between RPEG and MWCNTs. Thermal regulation clothes are prepared by a spray coating method, which show no performance deterioration after washing three times, indicating good washing durability.
Understanding the Ferroelectric Polymer–Metal Contact Electrification for Triboelectric Nanogenerator from Molecular and Electronic Structure
Authors: Li Lizhou , Wang Xiaoli , Hu Yanqiang , Li Zhihao , Wang Chenfei , Zhao Zirui
Published: November 2021

The contact electrification of ferroelectric polymer can be more complicated due to its ordered permanent molecular dipoles and dipole–dipole interactions. Herein, the  polyvinylidene fluoride (PVDF)‐Cu is taken as an example to investigate the mechanism of ferroelectric polymer‐metal contact electrification via first‐principles calculations. It is revealed that different from non‐ferroelectric polymers, when ferroelectric polymers are in contact with metals, the charge transfer occurs not only at the interface but also inside the polymer due to the existence of polar phases. Specifically, the polar phases in the crystallization region can effectively enhance the charge transfer between the ferroelectric polymer and metal because the polar molecules in PVDF possess the stronger electrostatic potential, more delocalized lowest unoccupied molecular orbital, and additional dipole–dipole interactions compared with nonpolar molecules. In addition, the coupling mechanism of piezoelectricity and triboelectricity in ferroelectric polymer‐metal contact electrification under compression is also investigated. It is demonstrated that the deformation increases the degree of noncoincidence between positive and negative charge centers in polar phases and causes charge transfer between the polar molecular chains of PVDF, thus producing the extra charge transfer between the ferroelectric polymer and metal. This study provides a theoretical basis for the material design of triboelectric nanogenerators based on ferroelectric polymers.
Fabrication of Alkali Metal Boride: Honeycomb‐Like Structured NaB4 with High Hardness and Excellent Electrical Conductivity
Authors: Zhao Bo , Wang Xiaojun , Yu Linchao , Liu Yunxian , Chen Xin , Yang Bingchao , Yang Guochun , Zhang Shoutao , Gu Lin , Liu Xiaobing
Published: November 2021

The design and fabrication of novel hard materials with excellent electrical conductivity is attractive in scientific and technological application under extreme conditions. Metal borides have brought substantial interest for decades in material science because of their strong covalent BB bonding network for intrinsic incompressibility and MM bonding for electron transportation. Here the successful synthesis of a novel hard alkali metal boride as NaB4 with high thermal stability (873 K) and metallic behaviors is reported. The relatively low synthetic P/T conditions (lowest at 1.5 GPa and 1000 K) enable the easy fabrication of large bulk materials (several centimeters in diameter). The studies reveal that the Vickers hardness value of NaB4 can reach up to 26 GPa, associated with superior incompressibility along (001) direction of honeycomb‐like boron structure that exhibits the highest shear modulus up to 96 GPa for borides. The NaB4 structure undergoes an interesting metallic‐semiconducting transition under compression up to 61 GPa. This new form of hard metal boride material with pressure‐tunable electrical properties enables the development of industrial applications as future electrical devices.
Translating Therapeutic Microgels into Clinical Applications
Authors: Kittel Yonca , Kuehne Alexander J. C. , De Laporte Laura
Published: November 2021

Microgels are crosslinked, water‐swollen networks with a 10 nm to 100 µm diameter and can be modified chemically or biologically to render them biocompatible for advanced clinical applications. Depending on their intended use, microgels require different mechanical and structural properties, which can be engineered on demand by altering the biochemical composition, crosslink density of the polymer network, and the fabrication method. Here, the fundamental aspects of microgel research and development, as well as their specific applications for theranostics and therapy in the clinic, are discussed. A detailed overview of microgel fabrication techniques with regards to their intended clinical application is presented, while focusing on how microgels can be employed as local drug delivery materials, scavengers, and contrast agents. Moreover, microgels can act as scaffolds for tissue engineering and regeneration application. Finally, an overview of microgels is given, which already made it into pre‐clinical and clinical trials, while future challenges and chances are discussed. This review presents an instructive guideline for chemists, material scientists, and researchers in the biomedical field to introduce them to the fundamental physicochemical properties of microgels and guide them from fabrication methods via characterization techniques and functionalization of microgels toward specific applications in the clinic.
Encapsulating Semiconductor Quantum Dots in Supramolecular Metal‐Organic Frameworks for Superior Photocatalytic Hydrogen Evolution
Authors: Pan Chen , Chao Jinyu , Niu Fushuang , Xie Songhai , Gu Haoyang , Su Tianhui , Hu Ke , Zhang Dan‐Wei , Liu Ke , Liu Guangfeng , Xie Tengfeng , Li Zhan‐Ting , Zhang Liming
Published: November 2021

Solar‐to‐hydrogen conversion is a sustainable way of producing renewable fuels, yet the efficiency is limited by the poor photo‐induced charge‐carrier separation on electrode surface. Developing active and stable hydrogen evolution photocatalysts is challenging and entails intelligent material structure design and tailoring. Here, a novel water dispersible supramolecular metal organic framework (SMOF) is employed as a general and high‐performance platform to encapsulate CdS quantum dots (QDs) for achieving highly improved solar‐induced H2‐production activity. Particularly, the CdS QDs@SMOF heterostructure exhibits an excellent H2 generation activity of 49.4 µmol h−1 (TOF = 47.0/h), exceeding those of most reported heterogeneous metal organic frameworks‐based photocatalytic systems. Advanced characterizations disclose that the strong electrostatic interaction and light‐induced charge transfer between SMOF and CdS QDs, combined with the high surface area, water dispersible nature, and abundant reactive centers synergistically contribute to this distinguished photocatalytic performance. The work not only demonstrates the water dispersible SMOF can serve as a versatile and effective platform supporting semiconductor to boost the photocatalytic H2‐production performance without co‐catalysts, but also paves avenues to the design and synthesis of SMOF‐based heterostructures for general catalysis applications.
Tamm Plasmon‐Polariton Ultraviolet Lasers
Authors: Xu Wen-Hui , Chou Yu-Hsun , Yang Zih-Ying , Liu Yi-Yun , Yu Min-Wen , Huang Chen-Hang , Chang Chun-Tse , Huang Chen-Yu , Lu Tien-Chang , Lin Tzy-Rong , Chen Kuo-Ping
Published: November 2021

The ZnO‐based Tamm plasmon‐polariton (TPP) ultraviolet laser is realized with the strong electric field confinement in the active layer. A coupling between TPPs and photons with a Rabi splitting of ≈30 meV is observed at room temperature. Furthermore, the TPP lasing at 373 nm is clearly observed by optical pumping. The corresponding lasing characteristics, such as threshold energy, linewidth, and angular dispersion curve are verified. These results form a basis for better understanding of the TPPs lasing mechanisms.
Charting the Exciton–Polariton Landscape of WSe2 Thin Flakes by Cathodoluminescence Spectroscopy
Authors: Taleb Masoud , Davoodi Fatemeh , Diekmann Florian K. , Rossnagel Kai , Talebi Nahid
Published: November 2021

Semiconducting transition‐metal dichalcogenides (TMDCs) provide a fascinating discovery platform for strong light–matter interaction effects in the visible spectrum at ambient conditions. While most of the works have focused on hybridizing excitons with resonant photonic modes of external mirrors, cavities, or nanostructures, intriguingly, TMDC flakes of subwavelength thickness can themselves act as nanocavities. Herein, the optical response of such freestanding planar waveguides of WSe2 by means of cathodoluminescence spectroscopy is determined. Strong exciton–photon interaction effects that foster long‐range propagating exciton–polaritons and enable direct imaging of the energy transfer dynamics originating from cavity‐like Fabry–Pérot resonances are revealed. Furthermore, confinement effects due to discontinuities in the flakes are demonstrated as an efficient means to tailor mode energies, spin–momentum couplings, and the exciton–photon coupling strength, as well as to promote photon‐mediated exciton–exciton interactions. The combined experimental and theoretical results provide a deeper understanding of exciton–photon self‐hybridization in semiconducting TMDCs and may pave the way to optoelectronic nanocircuits exploiting exciton–photon interaction beyond the routinely employed two‐oscillator coupling effects.
Polarization‐Independent Quasibound States in the Continuum
Authors: Vaity Pravin , Gupta Harshvardhan , Kala Abhinav , Dutta Gupta S. , Kivshar Yuri S. , Tuz Vladimir R. , Achanta Venu Gopal
Published: November 2021

A new property of the trapped mode (bound state in the continuum, BIC) supported by a dielectric resonant metasurface, which changes its lattice symmetry, is uncovered. The transformation of a metasurface composed of identical nanodisk resonators into a “diatomic” structure when one half of the nanodisks change their diameters is studied. The resulting folding of the Brillouin zone in the k‐space transforms the trapped (BIC) mode to quasi‐BIC resonances manifested in the polarization‐independent response. This novel feature is verified experimentally in the transmission of the metasurfaces illuminated by light with both linear and circular polarizations.
Nanoprobes for Biomedical Imaging with Tunable Near‐Infrared Optical Properties Obtained via Green Synthesis
Authors: Marin Riccardo , Benayas Antonio , García‐Carillo Nuria , Lifante José , Yao Jingke , Mendez-Gonzalez Diego , Sanz-Rodríguez Francisco , Rubio‐Retama Jorge , Besteiro Lucas V. , Jaque Daniel
Published: November 2021

Ideally, any material used should be nontoxic and produced with safe, inexpensive, and energy‐effective processes. In the case of optically active nanoparticles, this is often not the case, as they are frequently composed of hazardous heavy metals and/or produced with methods far from being environmentally friendly. Herein, the preparation of Ag2S‐based nanoparticles via a simple green synthesis route is explored. Aqueous extracts of roasted coffee are used as sources of coordinating molecules. Optimization of the reaction conditions yields dimeric Ag−Ag2S nanoparticles, whose near‐infrared photoluminescence can be switched on via H2O2‐mediated oxidation. This oxidation transforms suitable photoacoustic contrast agents into fluorescence imaging probes. Theoretical calculations further clarify the role of metallic silver in determining the optical properties of Ag2S. Overall, it is demonstrated that nanomaterials with tangible applicative potential can be prepared via cost‐ and energy‐effective synthesis strategies that entail benign, renewable chemicals.
Photothermal Chemistry Based on Solar Energy: From Synergistic Effects to Practical Applications
Authors: Hong Jianan , Xu Chenyu , Deng Bowen , Gao Yuan , Zhu Xuan , Zhang Xuhan , Zhang Yanwei
Published: November 2021

With the development of society, energy shortage and environmental problems have become more and more outstanding. Solar energy is a clean and sustainable energy resource, potentially driving energy conversion and environmental remediation reactions. Thus, solar‐driven chemistry is an attractive way to solve the two problems. Photothermal chemistry (PTC) is developed to achieve full‐spectral utilization of the solar radiation and drive chemical reactions more efficiently under relatively mild conditions. In this review, the mechanisms of PTC are summarized from the aspects of thermal and non‐thermal effects, and then the interaction and synergy between these two effects are sorted out. In this paper, distinguishing and quantifying these two effects is discussed to understand PTC processes better and to design PTC catalysts more methodically. However, PTC is still a little far away from practical. Herein, several key points, which must be considered when pushing ahead with the engineering application of PTC, are proposed, along with some workable suggestions on the practical application. This review provides a unique perspective on PTC, focusing on the synergistic effects and pointing out a possible direction for practical application.
Advances of Organosulfur Materials for Rechargeable Metal Batteries
Authors: Guo Wei , Wang Dan‐Yang , Chen Qiliang , Fu Yongzhu
Published: November 2021

Battery materials have become a hotspot in the academic research. Organosulfur compounds are considered as a promising class of cathode materials for rechargeable metal batteries. They have attracted increasing attention in recent years after a long‐term stagnancy since 1980s. Recent studies have focused on the understanding of redox mechanism of linear organosulfur molecules R‐Sn‐R with defined structures. In addition, some new organosulfur compounds are developed. The reversible sulfursulfur (SS) bond breakage/formation of organosulfur in batteries makes them applicable as functional materials in batteries. In this review, new organosulfur materials including molecules, polymers, and composites are introduced. In the following, organosulfur‐inorganic hybrid materials are discussed, which have shown unique redox process and enhanced battery performance. In the third part, organosulfur additives are used in Li‐S batteries, which can improve the formation of solid‐electrolyte interphase (SEI) and alter the redox pathways of sulfur cathodes. In the fourth part, organosulfur materials used in other metal batteries are introduced. Lastly, a summary and some perspectives are given. This review presents an overview of the recent advances of organosulfur materials in batteries and provides guidance for the future development of these materials.
Mechanical Properties of Organic Electronic Polymers on the Nanoscale
Authors: Panchal Vishal , Dobryden Illia , Hangen Ude D. , Simatos Dimitrios , Spalek Leszek J. , Jacobs Ian E. , Schweicher Guillaume , Claesson Per M. , Venkateshvaran Deepak
Published: November 2021

Organic semiconducting polymers have attractive electronic, optical, and mechanical properties that make them materials of choice for large area flexible electronic devices. In these devices, the electronically active polymer components are micrometers in size, and sport negligible performance degradation upon bending the centimeter‐scale flexible substrate onto which they are integrated. A closer look at the mechanical properties of the polymers, on the grain‐scale and smaller, is not necessary in large area electronic applications. In emerging micromechanical and electromechanical applications where the organic polymer elements are flexed on length scales spanning their own micron‐sized active areas, it becomes important to characterize the uniformity of their mechanical properties on the nanoscale. In this work, the authors use two precision nanomechanical characterization techniques, namely, atomic force microscope based PeakForce quantitative nanomechanical mapping (PF‐QNM) and nanoindentation‐based dynamical mechanical analysis (nano‐DMA), to compare the modulus and the viscoelastic properties of organic polymers used routinely in organic electronics. They quantitatively demonstrate that the semiconducting near‐amorphous organic polymer indacenodithiophene‐co‐benzothiadiazole (C16‐IDTBT) has a higher carrier mobility, lower modulus, and greater nanoscale modulus areal uniformity compared to the semiconducting semicrystalline organic polymer poly[2,5‐bis(3‐tetradecylthiophen‐2‐yl)thieno[3,2‐b]thiophene] (C14‐PBTTT). Modulus homogeneity appears intrinsic to C16‐IDTBT but can be improved in C14‐PBTTT upon chemical doping.
Crystallization Dynamics of Sn‐Based Perovskite Thin Films: Toward Efficient and Stable Photovoltaic Devices
Authors: Dong He , Ran Chenxin , Gao Weiyin , Sun Nan , Liu Xin , Xia Yingdong , Chen Yonghua , Huang Wei
Published: November 2021

Tin‐based perovskites show great potential in photovoltaic applications, and the development of the corresponding solar cells (PSCs) has made exciting progress during the past few years. However, owing to the high Lewis acidity and easy oxidation of Sn2+, Sn‐based perovskite films suffer from fast crystallization and easy formation of vacancy defects with low activation energy during the solution film‐forming process, resulting in poor film quality and inferior device performance. Therefore, an in‐depth understanding and rational control of film‐forming dynamics of Sn‐based perovskites is essential to improve the photovoltaic performance of their PSCs. In this review, the state‐of‐the‐art developments in crystallization dynamics control for Sn‐based perovskites and their impact on the photovoltaic performance of PSCs are systematically summarized. The review begins with the introduction of fundamentals and key difficulties for the control of the crystallization process of Sn‐based perovskites. Then, the advanced strategies that focus on regulating the crystallization process of Sn‐based perovskite films are comprehensively reviewed, including solvent engineering, additive engineering, cation engineering, and film‐forming technique engineering. Finally, future perspectives and research directions, regarding the smart control of crystallization dynamics of Sn‐based perovskite film, are discussed towards high‐performance and stable Sn‐based PSCs.
Unveiling the Role of Tetrabutylammonium and Cesium Bulky Cations in Enhancing Na‐O2 Battery Performance
Authors: de Larramendi Idoia Ruiz , Lozano Iñigo , Enterría Marina , Cid Rosalía , Echeverría María , Peña Sergio Rodríguez , Carrasco Javier , Manzano Hegoi , Beobide Garikoitz , Landa‐Medrano Imanol , Rojo Teófilo , Ortiz‐Vitoriano Nagore
Published: November 2021

The use of two types of bulky cations, tetrabutylammonium (TBA+) and Cs+, as electrolyte additives in Na‐O2 batteries is investigated. These cations facilitate the stabilization of sodium superoxide in the electrolyte, promoting the solution‐mediated pathway. Both the addition of TBA+ and Cs+ favor the growth of larger NaO2 cubes than in the case of the electrolyte containing only sodium salt, particularly in the case of Cs+. In terms of full discharge capacity, both additives lead to an increase in the discharge capacity, which is greater in Cs+ (50% enhancement). TBA+ also provides an improved stabilization of superoxide; nevertheless, the interaction is not as strong as in the case of Cs+ due to the steric hindrance set by the alkyl groups. The presence of these additives not only affects the NaO2 formation mechanism, but also influences the nature of the solid electrolyte interphase. The presence of Cs+ generates a more stable solid‐electrolyte interphase, which increases the cycle life of Na‐O2 batteries. Overall, new insights are provided to control the growth of the discharge products, modify the oxygen reduction reaction mechanism, and protect the Na metal anode surface by adding bulky monovalent cations in the electrolyte formulation.
Nudge to insure: Can informational nudges change enrollment decisions in pasture, rangeland, and forage rainfall index insurance?
Authors: Davidson Kelly A. , Goodrich Brittney K.
Published: November 2021

Through a framed field experiment with livestock farmers in the Northeast and Southeast United States, this research explores whether an informational nudge changes producers' selection of two‐month intervals and/or increases the likelihood of enrollment in pasture, rangeland, and forage (PRF) insurance. We find no evidence that a nudge influences interval choices; however, producers are more likely to enroll when PRF is framed as a risk management decision regarding forage loss. Risk aversion, familiarity with other United States Department of Agriculture livestock programs, and higher risk exposure increase the likelihood of enrollment. Past PRF and crop insurance participation decrease the amount insured during growing‐season months.
The strong impact of maternal marital status on birth body size before and during the Second World War in Poznań district, Poland
Authors: Liczbińska Grażyna , Králík Miroslav
Published: November 2021

Objectives

The study aims to examine whether maternal socio‐economic status, represented by marital status and the place of residence, affected birth body size (BBS) of babies in the pre‐war period and during the WWII.

Methods

The dataset consisted of 8934 unique individual information items on mothers and deliveries collected for two birth cohorts: born before (1934, 1935, 1936, and 1937) and during the WWII (1941, 1942, 1943 and 1944). BBS (weight, length, BMI) was compared according to mother's marital status and her place of residence in two cohorts separately. (ART)ANOVA was applied to test the effect of a child's sex, maternal marital status (MMS), and maternal place of residence (MPR) on birth weight/length/BMI of babies born alive before and during the WWII.

Results

Babies with greater BBS were born to married mothers than to single ones. This pattern applied to pre‐war and to the WWII cohort. In both pre‐war and the WWII cohorts the MMS had the strongest impact on BBS. The effect of mother's place of residence on BBS was observed in the pre‐war cohort only.

Conclusions

Marital status could have acted through economic and social factors, level of psychosocial stress and support, social (in)stability. In the pre‐war period, the place of residence much more reflected socio‐economic differences between localities. Marginal economic, health and nutritional conditions associated with the WWII affected mothers regardless of the size of their place of residence.
Improved attention linked to sustained phenylalanine reduction in adults with early‐treated phenylketonuria
Authors: Bilder Deborah A. , Arnold Georgianne L. , Dimmock David , Grant Mitzie L. , Janzen Darren , Longo Nicola , Nguyen‐Driver Mina , Jurecki Elaina , Merilainen Markus , Amato Gianni , Waisbren Susan
Published: November 2021

Pegvaliase is approved to reduce phenylalanine (Phe) levels for people with phenylketonuria (PKU). PRISM‐1 (NCT01819727) and PRISM‐2 (NCT01889862) data were analyzed to evaluate the relationship between Phe and inattention in adult participants with PKU. In the modified‐intent‐to‐treat population (N = 156), baseline mean (SE) plasma Phe was 1263 (29) μmol/L and the Attention Deficit Hyperactivity Disorder Rating Scale‐IV Inattentive (IA) symptoms score was 9.8 (0.5). Mean (SE) IA scores fell 9.0 (1.1) in Quartile 1 (Phe reduction between 1166 and 2229 μmol/L) versus 4.3 (0.7) in Quartile 4 (Phe reduction of 139 μmol/L to increase of 934 μmol/L), p = 0.004. Least squares mean (SE) change from baseline IA score was −7.9 (0.7) for participants with final Phe ≤ 360 μmol/L and −4.5 (0.7) for final Phe > 360 μmol/L, p < 0.001. In the inattention subgroup, IA scores fell 13.3 (1.5) in Quartile 1 (Phe reduction between 1288 and 2229 μmol/L) versus 6.2 (1.3) in Quartile 4 (Phe reduction of 247 to increase of 934 μmol/L), p = 0.009. Inattention symptoms improved among those whose Phe levels decreased, particularly those with high baseline IA scores. IA improvements were larger among participants with the greatest plasma Phe reductions, supporting this value as a therapeutic goal.
One Pot Catalyst‐free Synthesis of Substituted Di‐amino N‐tosyl Benzoyl Thiazoles byRegioselective C−N Bond Cleavage and Its Anticancer Activity
Authors: Bangade Vikas M. , Dadmal Tulshiram L. , Popatkar Bhushan B. , Mali Prakash R. , Meshram Harshadas M.
Published: November 2021

The synthesis of hitherto unknown thiazole derivatives have been disclosed via purely green approach. This proposed work is novel in terms of C−C bond formation at guanidino carbon in 2‐amino benzimidazole moiety. The unstable benzimidazol‐hemiaminals have been used as a source of reactive intermediates.The catalyst‐free synthesis of diamino benzoyl N‐tosyl thiazole governed bythe sequential chemical conversions, which was steered by simple N‐tosylation of benzimidazol‐hemiaminal. The reaction was internally edge forward by thiazolidine ring opening, N‐tosylation, C−C bond formation and regioselective cleavage of C−N bondat guanidino carbon in a single step. Oxidation of tertiary alcohol to ketone with ring opening by C−N bond cleavage and N‐tosylation are the valuable conversions to accomplish the regioselectivity in the development of new desired thiazole ring. Moreover benzimidazol‐hemiaminal used as a storage of 2‐oxo‐2‐phenylethyl N′‐(1H‐benzo[d]imidazol‐2‐yl)‐N‐phenylcarbamimidothioate which is again highly unstable intermediate. The reverse back step mechanism was developed for the synthesis of thiazoles unlike other hemiaminals. The protocol is free of catalyst and toxic solvents.Use of ionic liquid, shorter reaction time, high yielding and easy isolation of products makes this strategy more environmental‐friendly. The importance of products attributed to the presence of active benzoyl and amino groups. Product thiazoles (T3) (IC50=7.906 μM), (T4) (IC50=5.250 μM) and (T7) (IC50=4.709 μM) were found potent anticancer agents against lung cancer with reference to doxorubicin as standard.
Multicomponent Domino Reactions for the Synthesis of Variable Hydrogenated Imidazo[1,2‐a]pyridines
Authors: Kushch Svetlana O. , Goryaeva Marina V. , Surnina Elena A. , Burgart Yanina V. , Ezhikova Marina A. , Kodess Mikhail I. , Slepukhin Pavel A. , Saloutin Victor I.
Published: November 2021

An effective synthetic approach was proposed to partially and fully hydrogenated imidazo[1,2‐a]pyridines based on cyclizations of polyfluoroalkyl‐3‐oxo esters and ethylenediamine with aldehydes. It was found that acetic and propionic aldehydes react similar to the α,β‐unsaturated crotonic and cinnamic aldehydes. The cyclizations of trifluoroacetoacetic ester with ethylenediamine and aldehydes led to the formation of ethyl 5‐hydroxy‐5‐trifluoromethyloctahydroimidazo[1,2‐a]pyridin‐6‐carboxylates, except for the reaction with acetaldehyde, where the main product was 7‐hydroxy‐7‐trifluoromethylhexahydroimidazo[1,2‐a]pyridin‐5(1H)‐one. The cyclizations of polyfluoroalkyl‐3‐oxo esters resulted in 6‐(polyfluoroalkyl‐1‐hydroxyalkyl)‐tetrahydroimidazo[1,2‐a]pyridin‐5(3H)‐ones, except for transformations with cinnamaldehyde, from which ethyl 5‐hydroxy‐7‐phenyl‐5‐polyfluoroalkyloctahydroimidazo‐[1,2‐a]pyridin‐6‐carboxylates were isolated as by‐products. These bicycles containing long polyfluoroalkyl substituents (RF>C2F5) underwent haloform cleavage to form ethyl 7‐phenyl‐5‐oxooctahydroimidazo[1,2‐a]pyridin‐6‐carboxylate. The regio‐ and stereoisomeric structure of the synthesized bicycles was determined using 1H, 19F, 13C NMR spectroscopy and X‐ray. The domino mechanism was proposed for the formation of new tetra‐, hexa‐ and octahydroimidazo[1,2‐a]pyridines.
‘If I don't get a job in six months' time, I can see myself being back in there’: Post‐prison employment experiences of people in Canberra
Authors: Doyle Caroline , Yates Sophie , Bartels Lorana , Hopkins Anthony , Taylor Helen
Published: November 2021

Research has consistently shown that gaining employment after release helps to reduce recidivism, but also that people who have been in prison face many barriers to finding secure employment. This article presents qualitative data from the experiences of 11 people who had been released from prison in the Australian Capital Territory. We focus on the challenges these participants encountered with obtaining employment post‐release, including not having access to suitable housing, criminal background checks, managing post‐release commitments (such as attending substance abuse rehabilitation appointments) and a lack of confidence in approaching potential employers. Consequently, we recommend that policymakers ensure that there is a dedicated specialised employment team within the custodial environment providing individualised support for both unsentenced and sentenced people, both while they are incarcerated and post‐release.
Controlled Glioma Cell Migration and Confinement Using Biomimetic‐Patterned Hydrogels
Authors: Oh EunBi , Meckes Brian , Chang Jinyoung , Shin Donghoon , Mirkin Chad A.
Published: November 2021

Cancer cell migration is significantly influenced by the physical properties (e.g., mechanics, topography) of the local extracellular matrix (ECM). However, how cells guide their movement in a complex, heterogeneous landscape while interpreting various physical factors, especially those with sizes on the subcellular length scale, is not completely understood. Herein, a photodegradable hydrogel is fabricated with control over the spatial distribution of features with different physical characteristics. On the surface of this hydrogel, patterns of features with sizes and spacings on the subcellular to cellular length scale are generated using a digital micromirror device, and the influence of the organization of these patterns on cellular migratory behavior is investigated. The size and spatial arrangement of hard (or stiff) and soft domains, more so than their topography, is found to have a significant impact on the migration speed. Using this approach, the maximum migration speed is observed on hydrogels with 10 μm pattern sizes spaced 10 μm apart. In this regime, the cells are confined and interact with both hard and soft regions at their periphery. Together, this study of cell–ECM interactions at the interface of hard and soft domains provides insights into how cancer cells interact with their environment.
Intensive adsorption of strontium ions by using the synthesized [Zn(bim)2(bdc)]n: Metal–organic framework in batch and fixed‐bed column experiments
Authors: Ammari Allahyari Sareh , Saberi Reza , Sadjadi Sodeh , Mehraban Omid
Published: November 2021

In the present study, a metal–organic framework ([Zn(bim)2(bdc)]n, MOF‐ZBB) compound was prepared and applied as an adsorbent for the removal of strontium ions from aqueous solutions. The influences of several variables such as pH, contact time, and temperature were studied in batch experiments. The effect of interfering cations (Ca2+, Mg2+, Na+, and K+) on the adsorption behavior was also investigated. The Freundlich, Langmuir, and Dubinin–Radushkevich isotherm models were used for the analysis of equilibrium data. The maximum adsorption capacity by applying the Langmuir equation was 123.451 mg g−1 at 75°C with a pH of 7. The thermodynamic study revealed that the adsorption process is endothermic and spontaneous. The results showed that the pseudo‐second‐order kinetic model for adsorption strontium ions onto MOF‐ZBB better described the adsorption process. Finally, the fixed‐bed column experiments were carried out at different feed flow rates to investigate the dynamic capacity of the adsorption process. The results revealed a decrease of about 80% in the efficiency of the column by increasing the flow rate from 1 to 4 ml min−1.
Mechanism of enhanced lithium‐ion transport in solid polymer electrolytes assisted by ultrasonic vibration
Authors: Wang Hui , Ke Haoran , Wang Jinhuo , Yan Fei , Cui Xiaodong , Chen Yizhe
Published: November 2021

Despite widespread attention to solid polymer electrolytes owing to their excellent safety performance and flexibility, low ionic conductivity at room temperature limits their practical applications. Here, the experimental method and molecular dynamics simulation method are performed to explore the effect of ultrasonic vibration on solid polymer electrolytes. The experimental results show that the electrolyte possesses good electronic insulation and electrochemical stability, and the ionic conductivity of the electrolyte with ultrasonic treatment is increased by 72.72% at room temperature. Molecular dynamics simulation results reveal that ultrasonic vibration promotes the dissociation of lithium salt and increases the number of effective Li+ ions in the electrolyte. In addition, ultrasonic vibration increases free volume of the electrolyte. It provides more space for the transmission of Li+ ions, thus benefits the conduction of Li+ ions of the solid polymer electrolyte.
The politics of undermining national fee‐free education policy: Insights from Papua New Guinea
Authors: Walton Grant W. , Hushang Husnia
Published: November 2021

Around the world, policymakers have found it difficult to sustain fee‐free education policies. This article shows how politicians can significantly undermine national fee‐free education policies by redirecting resources to subnational administrations, where funds can be used to shore up political support. To do so it examines changes to political support towards Papua New Guinea’s longest running fee‐free education policy. The Tuition Fee Free (TFF) policy was introduced in 2012 under the government of Prime Minister Peter O’Neill before the policy was abolished, and the subsidy supporting it reduced, in 2019 by a new government led by Prime Minister James Marape. Following the introduction of the TFF policy in 2012, national politicians empowered subnational governments to control TFF subsidies, while education and other funding had started to flow to newly created district administrations. This paved the way for politicians to maintain fee‐free education policy in some subnational administrations when the Marape government cut the TFF subsidy. This article suggests that in Papua New Guinea, as in some other developing countries, politicians are incentivised to administer fee‐free education policies at subnational rather than national administrative scales. Sustaining universal fee‐free education policies will require changing these incentives.
Ontogeny of the human fetal, neonatal, and infantile basioccipital bone: Traditional and extended eigenshape geometric morphometric analysis
Authors: Zdilla Matthew J. , Pancake Jacob P. , Russell Michelle L. , Koons Aaron W.
Published: November 2021

The basioccipital bone is an essential developmental component to the occipital bone, occipital condyles, foramen magnum, clivus, and cranial base. The basioccipital bone joins each exoccipital bone with a basiexoccipital synchondrosis and the basisphenoid/sphenoid bone with a spheno‐occipital synchondrosis. The basioccipital is found intermediate to the petrous temporal bones and forms the bilateral petrooccipital/petroclival fissures otherwise known as the petrooccipital complex. Thus, the basioccipital bone is a central component to the developing cranial base. Despite the importance of basioccipital development in cranial ontogeny, there has been limited study of basioccipital ontogeny. This study assessed 98 disarticulated human basioccipital bones from a perinatal population ranging in age‐at‐death from 5‐months intrauterine to 5‐months post‐natal development. Size and shape of basioccipital bones were assessed with traditional and extended eigenshape geometric morphometric analysis. The results of this study demonstrate that the basioccipital bone grows in width at a faster rate than it grows in length. The maximum basioccipital width surpassed the midsagittal length at approximately 7‐months intrauterine development. Canonical variate analysis revealed statistically significant shape change occurring from a relatively narrow/elongate (anterior‐to‐posterior) basiocciput shape with mild concavity at the foramen magnum in the fifth and sixth intrauterine months to a relatively broad/stout basiocciput shape with more pronounced concavity in the postnatal months. Likewise, growth rate in total length was greater than midsagittal length, demonstrating enlargement of concavity in the anterior foramen magnum over time. This report provides insight into cranial development and aids in estimating age‐at‐death among fetuses and infants.
Correlation between circulating tumor DNA and carcinoembryonic antigen levels in patients with metastatic colorectal cancer
Authors: Osumi Hiroki , Shinozaki Eiji , Ooki Akira , Shimozaki Keitaro , Kamiimabeppu Daisaku , Nakayama Izuma , Wakatsuki Takeru , Ogura Mariko , Takahari Daisuke , Chin Keisho , Yamaguchi Kensei
Published: November 2021

Background

Circulating tumor DNA (ctDNA) is a biomarker with potential to reflect comprehensive genomic information and overcome intratumor heterogeneity. In contrast, carcinoembryonic antigen (CEA) is a conventional tumor marker for predicting recurrence, survival, and chemotherapeutic efficacy in patients with metastatic colorectal cancer (mCRC). However, the relationship between them remains unclear. Here, the relationship between plasma ctDNA and CEA levels was evaluated to clarify the advantages and disadvantages of their clinical use.

Methods

A total of 110 patients with mCRC underwent chemotherapy were enrolled. Amplicon‐based plasma genomic profiling of 14 genes that are commonly mutated in CRC by next‐generation sequencing was compared to the CEA level and tumor diameter using Spearman’s correlation coefficient.

Results

The overall concordance rate between the ctDNA and CEA levels was 75.5% (83/110). The correlation coefficient between the ctDNA and CEA levels was lower in the group of patients without liver and lymph node metastases (r = 0.18, p = 0.44) than in the group of patients with liver metastasis (r = 0.48, p < 0.0001). Although the correlation coefficients between tumor diameter and both ctDNA and CEA levels were high in the group of patients with liver metastasis, only the CEA correlation coefficient was maintained in the group of patients without liver and lymph node metastases (r = 0.53, p = 0.01). The characteristics that influenced discordance were liver metastasis and the sum of tumor diameter.

Conclusions

The status of ctDNA and CEA may not be consistent in patients with mCRC without liver metastasis or with a low tumor volume; both results should be considered when deciding a treatment strategy.
Indirect Electrooxidation of Methane to Methyl Bisulfate on a Boron‐Doped Diamond Electrode
Authors: Britschgi Joel , Bilke Marius , Schuhmann Wolfgang , Schüth Ferdi
Published: November 2021

Although highly desired and studied for decades, direct methane functionalization to liquid products remains a challenge. We report an electrochemical system using a boron‐doped diamond (BDD) anode in concentrated sulfuric acid that is able to convert methane to methyl bisulfate and methanesulfonic acid without the use of a catalyst by indirect electrochemical oxidation. Due to its high material stability, BDD can be operated at high current densities. High temperature (140 °C) and pressure (70 bar) support the formation of methyl bisulfate to concentrations as high as 160 mM in 3 h and methanesulfonic acid to concentrations of up to 750 mM in 8 h. We present a novel way of catalyst‐free electrochemical methane oxidation and show general trends and limitations of this reaction.
A Trivalent Americium Organic Framework with Decent Structural Stability against Self‐Irradiation
Authors: Zhang Yugang , Li Kai , Zhang Sida , Wang Xia , Zhang Hailong , Wang Yanlong , Wang Yaxing , Chai Zhifang , Wang Shuao
Published: November 2021

Comprehensive Summary

We reported the synthesis, single crystal structure, and solid‐state UV‐Vis‐NIR spectroscopy of a new transplutonium metal‐organic framework (MOFs), Am(H2O)[PO[(C6H4)COO]3], denoted as AmTPO (TPO = tris(4‐carboxylphenyl)‐phosphineoxide). AmTPO forms a three‐dimensional metal−organic framework structure with americium dimers as the secondary building unit. Clear 5f → 5f transitions attributed to trivalent americium was observed in the absorption spectrum of AmTPO ranging from 300 to 1200 nm. Notably, AmTPO can maintain the crystallinity with no observable structural degradation within several months after being synthesized, revealing a long‐term radiation resistance of this structure and the potential application of MOFs as a platform for nuclear waste disposal.
From Inception to ConcePTION: Genesis of a Network to Support Better Monitoring and Communication of Medication Safety During Pregnancy and Breastfeeding
Authors: Thurin Nicolas H. , Pajouheshnia Romin , Roberto Giuseppe , Dodd Caitlin , Hyeraci Giulia , Bartolini Claudia , Paoletti Olga , Nordeng Hedvig , Wallach‐Kildemoes Helle , Ehrenstein Vera , Dudukina Elena , MacDonald Thomas , De Paoli Giorgia , Loane Maria , Damase‐Michel Christine , Beau Anna‐Belle , Droz‐Perroteau Cécile , Lassalle Régis , Bergman Jorieke , Swart Karin , Schink Tania , Cavero‐Carbonell Clara , Barrachina‐Bonet Laia , Gomez‐Lumbreras Ainhoa , Giner‐Soriano Maria , Aragón María , Neville Amanda J. , Puccini Aurora , Pierini Anna , Ientile Valentina , Trifirò Gianluca , Rissmann Anke , Leinonen Maarit K. , Martikainen Visa , Jordan Sue , Thayer Daniel , Scanlon Ieuan , Georgiou Mary E. , Cunnington Marianne , Swertz Morris , Sturkenboom Miriam , Gini Rosa
Published: November 2021

In 2019, the Innovative Medicines Initiative (IMI) funded the ConcePTION project—Building an ecosystem for better monitoring and communicating safety of medicines use in pregnancy and breastfeeding: validated and regulatory endorsed workflows for fast, optimised evidence generation—with the vision that there is a societal obligation to rapidly reduce uncertainty about the safety of medication use in pregnancy and breastfeeding. The present paper introduces the set of concepts used to describe the European data sources involved in the ConcePTION project and illustrates the ConcePTION Common Data Model (CDM), which serves as the keystone of the federated ConcePTION network. Based on data availability and content analysis of 21 European data sources, the ConcePTION CDM has been structured with six tables designed to capture data from routine healthcare, three tables for data from public health surveillance activities, three curated tables for derived data on population (e.g., observation time and mother‐child linkage), plus four metadata tables. By its first anniversary, the ConcePTION CDM has enabled 13 data sources to run common scripts to contribute to major European projects, demonstrating its capacity to facilitate effective and transparent deployment of distributed analytics, and its potential to address questions about utilization, effectiveness, and safety of medicines in special populations, including during pregnancy and breastfeeding, and, more broadly, in the general population.
The pH of Smokeless Tobacco Determines Nicotine Buccal Absorption: Results of a Randomized Crossover Trial
Authors: Wilhelm Jess , Mishina Elena , Viray Lauren , Paredes Antonio , Pickworth Wallace B.
Published: November 2021

Nicotine absorption rate influences tobacco products’ addictiveness. For smokeless tobacco, nicotine buccal absorption is associated with its free‐base form; the pH of smokeless tobacco defines the proportion of free‐base (i.e., unprotonated) vs. protonated nicotine. This was the first study to compare nicotine pharmacokinetics (PK) and pharmacodynamics (PD) after the use of commercial smokeless tobacco products that were experimentally manipulated to differ only in pH and percent free‐base nicotine. Moist snuff users (N = 40) completed four crossover visits and used a single 2 g portion of Copenhagen Original Long Cut amended to 4 pH levels: 5.0, 7.7, 8.2, and 8.6 (free‐base nicotine 0.1, 32, 60, and 79%) for 30 minutes. Nicotine PK and PD were assessed for 4 hours post‐use. Nicotine PK substantially depends on its free‐base proportion, with more than 4‐fold increases in mean plasma nicotine maximum concentration and area under the curve over 240 minutes (3.9 to 16.7 ng/mL; 385 to 1810 ng min/mL, respectively, both P < 0.001) from pH 5.0 to 8.6. The autonomic cardiovascular effects of smokeless tobacco use reflected percent free‐base nicotine, with small (albeit significant) systematic increases in heart rate and blood pressure associated with free‐base nicotine. Smokeless tobacco product pH and percent free‐base nicotine play a major role in the rate and extent of nicotine absorption, determining product PD effects and abuse potential. Research and regulation of smokeless tobacco products should consider both total nicotine content and product pH. Further research may address the impact of modifying pH on the addictiveness of smokeless tobacco and associated use behaviors.