bluuebunny/crossref_metadata_2025 huggingface dataset:
Clinical relevance assessment of animal preclinical research (RAA) tool: development and explanation
Authors: Gurusamy Kurinchi S. , Moher David , Loizidou Marilena , Ahmed Irfan , Avey Marc T. , Barron Carly C. , Davidson Brian , Dwek Miriam , Gluud Christian , Jell Gavin , Katakam Kiran , Montroy Joshua , McHugh Timothy D. , Osborne Nicola J. , Ritskes-Hoitinga Merel , van Laarhoven Kees , Vollert Jan , Lalu Manoj
Published: January 2021

Background

Only a small proportion of preclinical research (research performed in animal models prior to clinical trials in humans) translates into clinical benefit in humans. Possible reasons for the lack of translation of the results observed in preclinical research into human clinical benefit include the design, conduct, and reporting of preclinical studies. There is currently no formal domain-based assessment of the clinical relevance of preclinical research. To address this issue, we have developed a tool for the assessment of the clinical relevance of preclinical studies, with the intention of assessing the likelihood that therapeutic preclinical findings can be translated into improvement in the management of human diseases.

Methods

We searched the EQUATOR network for guidelines that describe the design, conduct, and reporting of preclinical research. We searched the references of these guidelines to identify further relevant publications and developed a set of domains and signalling questions. We then conducted a modified Delphi-consensus to refine and develop the tool. The Delphi panel members included specialists in evidence-based (preclinical) medicine specialists, methodologists, preclinical animal researchers, a veterinarian, and clinical researchers. A total of 20 Delphi-panel members completed the first round and 17 members from five countries completed all three rounds.

Results

This tool has eight domains (construct validity, external validity, risk of bias, experimental design and data analysis plan, reproducibility and replicability of methods and results in the same model, research integrity, and research transparency) and a total of 28 signalling questions and provides a framework for researchers, journal editors, grant funders, and regulatory authorities to assess the potential clinical relevance of preclinical animal research.

Conclusion

We have developed a tool to assess the clinical relevance of preclinical studies. This tool is currently being piloted.
Three new species of subterranean amphipods (Pseudocrangonyctidae: Pseudocrangonyx) from limestone caves in South Korea
Authors: Lee Chi-Woo , Min Gi-Sik
Published: January 2021

Pseudocrangonyx Akatsuka & Komai, 1922 is the most diverse group of subterranean amphipods in the groundwater communities of Far East Asia. In Korea, the diversity of the group has been underestimated due to the records of morphological variants of Pseudocrangonyx asiaticus Uéno, 1934. To estimate the species diversity, we analyzed the morphological characteristics and conducted molecular analyses of specimens collected from Korean caves that we treated as morphological variants of P. asiaticus. We described three new subterranean pseudocrangonyctid amphipod species, P. deureunensis sp. nov., P. kwangcheonseonensis sp. nov., and P. hwanseonensis sp. nov., from the groundwater of limestone caves in South Korea. Additionally, we determined sequences of the nuclear large subunit ribosomal RNA and the mitochondrial cytochrome c oxidase subunit I gene of the new species for molecular analyses. Molecular phylogenetic analyses revealed that the three new species formed a monophylum together with P. joolaei Lee et al., 2020 and P. wonkimi Lee, Tomikawa & Min, 2020, which are species that are endemic to Korean caves.
Silver Nanowires Digital Printing for Inverted Flexible Semi‐Transparent Solar Cells
Authors: Wageh S. , Raïssi Mahfoudh , Berthelot Thomas , Al-Ghamdi Ahmed A. , Abusorrah Abdullah M. , Boukhili Walid , Al-Hartomy Omar A.
Published: January 2021

Transparent flexible organic solar cells (OSCs) are attracting increasing attention as an essential constituent for constructing smart window technologies and integrated photovoltaics (PVs). However, silver nanowire (AgNW) electrodes with negligible sheet resistance, good transmittance, and low costs are especially appealing in the design of flexible OSCs that require similar power conversion efficiency (PCE) values and superior flexibility compared with devices based on indium tin oxide (ITO) electrodes. Herein, the new digital printing technology of digital materials deposition to print the poly(3,4‐ethylene dioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) as a hole transport layer and AgNWs as top and bottom electrodes for transparent flexible OSCs with an active layer as poly(3‐hexylthiophene) (P3HT):phenyl‐C61‐butyric acid methyl ester (PCBM) are used. All other thin layers are deposited on the polyethylene terephthalate (PET) substrate by the conventional process. The PV performance of the devices under inverted structure PET/AgNWs/ZnO/P3HT:PCBM/PEDOT/AgNWs is short circuit current density (Jsc) = 9.8 mA cm−2, open circuit voltage (Voc) = 0.53 V, fill factor (FF) = 0.60, and PCE = 2.9% with visible light transparency = 45%.
Lithiophilic Vertical Cactus‐Like Framework Derived from Cu/Zn‐Based Coordination Polymer through In Situ Chemical Etching for Stable Lithium Metal Batteries
Authors: Liu Tiancun , Chen Shuangqiang , Sun Weiwei , Lv Li‐Ping , Du Fei‐Hu , Liu Hao , Wang Yong
Published: January 2021

Detrimental dendritic lithium (Li) growth, infinite volume expansion of Li deposition and inevitable excess electrolyte consumption have always impeded the successful application of Li metal anodes. Herein, a unique lithiophilic vertical cactus‐like framework (LVCF) derived from a Zn/Cu‐based coordination polymer through in situ chemical etching of Cu foam is proposed to enhance the safety and electrochemical performance of Li metal anodes. An ingenious strategy of releasing Cu ions from Cu foam in the presence of organic ligands is implemented successfully to achieve the coordination polymer precursor, resulting in the coexistence of massive lithiophilic nitrogen‐containing functional groups, ZnO quantum dots and in situ grown carbon nanotubes (CNTs) in the LVCF, which is beneficial to avoiding the generation of harmful Li dendrites. Benefiting from the positive effects of the improved lithiophilicity, decreased local current density and relieved volume expansion, LVCF delivers an ultrastable Coulombic efficiency of 98.6% for 600 cycles at 1 mA cm–2 and an improved cycling lifespan of 1800 h for symmetric cells. Full cells comprising LVCF@Li anodes and LiFePO4 cathodes can deliver an ultrahigh capacity of 101.8 mAh g–1 (capacity retention ratio: 77.9%) after 900 cycles at 1 C and excellent rate performance.
Engineering the Lymphatic Network: A Solution to Lymphedema
Authors: Jia Wenkai , Hitchcock‐Szilagyi Hannah , He Weilue , Goldman Jeremy , Zhao Feng
Published: January 2021

Secondary lymphedema is a life‐long disorder characterized by chronic tissue swelling and inflammation that obstruct interstitial fluid circulation and immune cell trafficking. Regenerating lymphatic vasculatures using various strategies represents a promising treatment for lymphedema. Growth factor injection and gene delivery have been developed to stimulate lymphangiogenesis and augment interstitial fluid resorption. Using bioengineered materials as growth factor delivery vehicles allows for a more precisely targeted lymphangiogenic activation within the injured site. The implantation of prevascularized lymphatic tissue also promotes in situ lymphatic capillary network formation. The engineering of larger scale lymphatic tissues, including lymphatic collecting vessels and lymph nodes constructed by bioengineered scaffolds or decellularized animal tissues, offers alternatives to reconnecting damaged lymphatic vessels and restoring lymph circulation. These approaches provide lymphatic vascular grafting materials to reimpose lymphatic continuity across the site of injury, without creating secondary injuries at donor sites. The present work reviews molecular mechanisms mediating lymphatic system development, approaches to promoting lymphatic network regeneration, and strategies for engineering lymphatic tissues, including lymphatic capillaries, collecting vessels, and nodes. Challenges of advanced translational applications are also discussed.
Atomic‐Level Charge Separation Strategies in Semiconductor‐Based Photocatalysts
Authors: Chen Fang , Ma Tianyi , Zhang Tierui , Zhang Yihe , Huang Hongwei
Published: January 2021

Semiconductor‐based photocatalysis as a productive technology furnishes a prospective solution to environmental and renewable energy issues, but its efficiency greatly relies on the effective bulk and surface separation of photoexcited charge carriers. Exploitation of atomic‐level strategies allows in‐depth understanding on the related mechanisms and enables bottom‐up precise design of photocatalysts, significantly enhancing photocatalytic activity. Herein, the advances on atomic‐level charge separation strategies toward developing robust photocatalysts are highlighted, elucidating the fundamentals of charge separation and transfer processes and advanced probing techniques. The atomic‐level bulk charge separation strategies, embodied by regulation of charge movement pathway and migration dynamic, boil down to shortening the charge diffusion distance to the atomic‐scale, establishing atomic‐level charge transfer channels, and enhancing the charge separation driving force. Meanwhile, regulating the in‐plane surface structure and spatial surface structure are summarized as atomic‐level surface charge separation strategies. Moreover, collaborative strategies for simultaneous manipulation of bulk and surface photocharges are also introduced. Finally, the existing challenges and future prospects for fabrication of state‐of‐the‐art photocatalysts are discussed on the basis of a thorough comprehension of atomic‐level charge separation strategies.
Mechanically Matched Silicone Brain Implants Reduce Brain Foreign Body Response
Authors: Zhang Edward N. , Clément Jean‐Pierre , Alameri Alia , Ng Andy , Kennedy Timothy E. , Juncker David
Published: January 2021

Brain implants are increasingly used to treat neurological disorders and diseases. However, the brain foreign body response (FBR) elicited by implants affects neuroelectrical transduction and long‐term reliability limiting their clinical adoption. The mismatch in Young's modulus between silicon implants (≈180 GPa) and brain tissue (≈1–30 kPa) exacerbates the FBR, resulting in the development of flexible implants from polymers such as polyimide (≈1.5–2.5 GPa). However, a stiffness mismatch of at least two orders of magnitude remains. The study introduces 1) the first mechanically matched brain implant (MMBI) made from silicone (≈20 kPa); 2) new microfabrication methods; and 3) a novel dissolvable sugar shuttle to reliably implant MMBIs. MMBIs are fabricated via vacuum‐assisted molding using sacrificial sugar molds and are then encased in sugar shuttles that dissolved within 2 min after insertion into rat brains. Sections of rat neocortex implanted with MMBIs, polydimethylsiloxane (PDMS) implants, and silicon implants are analyzed by immunohistochemistry 3 and 9 weeks post‐implantation. MMBIs result in significantly higher neuronal density and lower FBR within 50 µm of the tissue‐implant interface compared to PDMS and silicon implants, suggesting that materials mechanically matched to brain further minimize the FBR and can contribute to better implant functionality and long‐term reliability.
Electrospun Adsorptive Nanofibrous Membranes from Ion Exchange Polymers to Snare Textile Dyes from Wastewater
Authors: Cseri Levente , Topuz Fuat , Abdulhamid Mahmoud A. , Alammar Abdulaziz , Budd Peter M. , Szekely Gyorgy
Published: January 2021

Increasing discharges of industrial wastewater, along with ever‐stricter regulations for the protection of natural water sources, have amplified the demand for highly efficient water treatment technologies. Here, electrospun nanofibrous polyimides enhanced with ion exchange properties are proposed as adsorptive membranes for the treatment of dye‐loaded textile wastewater. With the careful selection of monomers, carboxyl‐functionalized porous polyimides are synthesized in a single step and then further decorated with strong cation and anion exchange side groups. Nuclear magnetic resonance spectroscopy and thermal gravimetric analysis are used to investigate the alkylation degree and total exchange capacity of the polymers. The electrospinning conditions are optimized to produce highly flexible membrane mats with a uniform nanofibrous structure. A series of dye sorption experiments on the nanofibrous membranes reveals the adsorption kinetics and the effects of the polyimide backbone, the charged side groups, and the hydrophilicity. A recycling study is conducted to confirm the stability of the adsorbent membranes. The results suggest that nanofibrous polyimide membranes enhanced with ion exchange properties are promising candidates for the treatment of dye‐laden wastewater. Owing to their facile syntheses and unique properties, these membranes show promising potential in environmental applications.
Natural Jute Fibre‐Based Supercapacitors and Sensors for Eco‐Friendly Energy Autonomous Systems
Authors: Manjakkal Libu , Franco Fabiane Fantinelli , Pullanchiyodan Abhilash , González‐Jiménez Mario , Dahiya Ravinder
Published: January 2021

Environmentally friendly energy devices and systems are of increasing interest for the circular economy and sustainable information and communications technology. To this end, an energy‐autonomous system comprised of natural jute fiber‐based supercapacitor (SC) and sensors (temperature and humidity) is presented. This material is coated with poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS)/single‐walled carbon nanotubes as the electrode and cellulose‐based material as a separator. Further, a newly prepared hydroxyethyl cellulose‐potassium chloride based gel is used as the electrolyte. The observed capacitance is nearly twice the value reported for similar SCs. The energy and power densities of the presented SC are 0.712 μWh cm−1 and 3.85 µW cm−1, respectively at a capacitance of 8.65 mF cm−1 and an applied current of 0.1 mA. The fabricated temperature sensor shows a relative change in response of 0.23% °C−1 from 24 to 35 °C and the humidity sensor exhibits a sensitivity of 1.5 Ω/%RH (relative change of 0.20%) up to 50%RH. Developed using sustainable and biocompatible materials, the presented SC can power the jute‐fiber based sensors, thus demonstrating an attractive eco‐friendly solution for applications such as wearables, grain sacks, and bags.
Self‐Healing of Broken Bonds and Deep Gap States in Sb2Se3 and Sb2S3
Authors: McKenna Keith Patrick
Published: January 2021

Broken bonds introduced at extended defects in covalently‐bonded semiconductors generally introduce deep electronic states within the gap, negatively impacting performance for applications in electronics, photochemistry, and optoelectronics. Here, it is shown that Sb2Se3 and Sb2S3, which show exceptional promise for photovoltaic and photoelectrochemical applications, exhibit a remarkable ability to self‐heal broken bonds through structural reconstructions, thereby eliminating the associated deep electronic states. Unusually, these materials appear intrinsically resilient to the formation of dangling bonds at extended defects, which should be advantageous for a wide range of applications. This novel behavior is connected with particular structural and chemical features of Sb2Se3 and Sb2S3, and a number of other materials that may be expected to exhibit similar effects are identified.
A Structural Battery and its Multifunctional Performance
Authors: Asp Leif E. , Bouton Karl , Carlstedt David , Duan Shanghong , Harnden Ross , Johannisson Wilhelm , Johansen Marcus , Johansson Mats K. G. , Lindbergh Göran , Liu Fang , Peuvot Kevin , Schneider Lynn M. , Xu Johanna , Zenkert Dan
Published: January 2021

Engineering materials that can store electrical energy in structural load paths can revolutionize lightweight design across transport modes. Stiff and strong batteries that use solid‐state electrolytes and resilient electrodes and separators are generally lacking. Herein, a structural battery composite with unprecedented multifunctional performance is demonstrated, featuring an energy density of 24 Wh kg−1 and an elastic modulus of 25 GPa and tensile strength exceeding 300 MPa. The structural battery is made from multifunctional constituents, where reinforcing carbon fibers (CFs) act as electrode and current collector. A structural electrolyte is used for load transfer and ion transport and a glass fiber fabric separates the CF electrode from an aluminum foil‐supported lithium–iron–phosphate positive electrode. Equipped with these materials, lighter electrical cars, aircraft, and consumer goods can be pursued.
Social relationships among captive male pygmy slow lorises (Nycticebus pygmaeus): Is forming male same‐sex pairs a feasible management strategy?
Authors: Yamanashi Yumi , Nemoto Kei , Alejandro Josue
Published: January 2021

Little is known about the social behavior of pygmy slow lorises, in particular, the social relationships of same‐sex individuals have rarely been investigated. The Slow Loris Conservation Center was built at the Japan Monkey Center to enhance the welfare of confiscated slow lorises, promote their conservation, improve public education, and perform scientific research on the species. In the course of improving housing conditions, several same‐sex pairs of pygmy slow lorises were formed. We monitored their behaviors and fecal glucocorticoid metabolite (FGM) levels to understand whether male same‐sex pairings could be a feasible management strategy. The subjects were 10 male and 6 female lorises for comparison, all of whom were over 5 years old. We successfully formed five pairs of male lorises after eight formation attempts. Male pairs initially showed some aggressive behaviors; however, the rate decreased approximately 10 days after introduction. All of the male pairs eventually exhibited extensive affiliative social behaviors, including allogrooming and social play, during the dark (active) phase, and sleep site sharing during the light (inactive) phase. The rate of sleep site sharing during the light phase was higher than expected, suggesting that the pairs preferred to stay near each other. There was no evidence of increased stress after a long period of male–male social housing. Female same‐sex pairs and male–female pairs demonstrated a high level of affiliative behaviors right after the introduction. These results highlight the flexibility and high sociability of this species and indicate that such same‐sex pairings are a feasible option for their social management.
Regio‐Regular Polymer Acceptors Enabled by Determined Fluorination on End Groups for All‐Polymer Solar Cells with 15.2 % Efficiency
Authors: Yu Han , Pan Mingao , Sun Rui , Agunawela Indunil , Zhang Jianquan , Li Yuhao , Qi Zhenyu , Han Han , Zou Xinhui , Zhou Wentao , Chen Shangshang , Lai Joshua Yuk Lin , Luo Siwei , Luo Zhenghui , Zhao Dahui , Lu Xinhui , Ade Harald , Huang Fei , Min Jie , Yan He
Published: January 2021

Polymerization sites of small molecule acceptors (SMAs) play vital roles in determining device performance of all‐polymer solar cells (all‐PSCs). Different from our recent work about fluoro‐ and bromo‐ co‐modified end group of IC‐FBr (a mixture of IC‐FBr1 and IC‐FBr2), in this paper, we synthesized and purified two regiospecific fluoro‐ and bromo‐ substituted end groups (IC‐FBr‐o & IC‐FBr‐m), which were then employed to construct two regio‐regular polymer acceptors named PYF‐T‐o and PYF‐T‐m, respectively. In comparison with its isomeric counterparts named PYF‐T‐m with different conjugated coupling sites, PYF‐T‐o exhibits stronger and bathochromic absorption to achieve better photon harvesting. Meanwhile, PYF‐T‐o adopts more ordered inter‐chain packing and suitable phase separation after blending with the donor polymer PM6, which resulted in suppressed charge recombination and efficient charge transport. Strikingly, we observed a dramatic performance difference between the two isomeric polymer acceptors PYF‐T‐o and PYF‐T‐m. While devices based on PM6:PYF‐T‐o can yield power conversion efficiency (PCE) of 15.2 %, devices based on PM6:PYF‐T‐m only show poor efficiencies of 1.4 %. This work demonstrates the success of configuration‐unique fluorinated end groups in designing high‐performance regular polymer acceptors, which provides guidelines towards developing all‐PSCs with better efficiencies.
Promoting the Furan Ring‐Opening Reaction to Access New Donor–Acceptor Stenhouse Adducts with Hexafluoroisopropanol
Authors: Clerc Michèle , Stricker Friedrich , Ulrich Sebastian , Sroda Miranda , Bruns Nico , Boesel Luciano F. , Read de Alaniz Javier
Published: January 2021

Donor–acceptor Stenhouse adducts (DASAs) are visible‐light‐responsive photoswitches with a variety of emerging applications in photoresponsive materials. Their two‐step modular synthesis, centered on the nucleophilic ring opening of an activated furan, makes DASAs readily accessible. However, the use of less reactive donors or acceptors renders the process slow and low yielding, which has limited their development. We demonstrate here that 1,1,1,3,3,3‐hexafluoro‐2‐propanol (HFIP) promotes the ring‐opening reaction and stabilizes the open isomer, allowing greatly reduced reaction times and increased yields for known derivatives. In addition, it provides access to previously unattainable DASA‐based photoswitches and DASA–polymer conjugates. The role of HFIP and the photochromic properties of a set of new DASAs is probed using a combination of 1H NMR and UV/Vis spectroscopy. The use of sterically hindered, electron‐poor amines enabled the dark equilibrium to be decoupled from closed‐isomer half‐lives for the first time.
Synthesis of N‐alkylated pyrazolo[3,4‐d]pyrimidine analogs and evaluation of acetylcholinesterase and carbonic anhydrase inhibition properties
Authors: Aydin Busra O. , Anil Derya , Demir Yeliz
Published: January 2021

Fused pyrimidines, especially pyrazolo[3,4‐d]pyrimidines, are among the most preferred building blocks for pharmacology studies, as they exhibit a broad spectrum of biological activity. In this study, new derivatives of pyrazolo[3,4‐d]pyrimidine were synthesized by alkylation of the N1 nitrogen atom. We synthesized 3‐iodo‐1H‐pyrazolo[3,4‐d]pyrimidin‐4‐amine 2 from commercially available aminopyrazolopyrimidine 1 using N‐iodosuccinimide as an iodinating agent. The synthesis of compound 2 started with nucleophilic substitution of 3‐iodo‐1H‐pyrazolo[3,4‐d]pyrimidin‐4‐amine with R–X (X: –OMs, –Br, –Cl), affording N‐alkylated pyrazolo[3,4‐d]pyrimidine. We performed this synthesis using a weak inorganic base and the mild temperature was also used for a two‐step procedure to generate N‐alkylated pyrazolo[3,4‐d]pyrimidine derivatives. Also, all compounds were tested for their ability to inhibit acetylcholinesterase (AChE) and the human carbonic anhydrase (hCA) isoforms I and II, with Ki values in the range of 15.41 ± 1.39–63.03 ± 10.68 nM for AChE, 17.68 ± 1.92–66.27 ± 5.43 nM for hCA I, and 8.41 ± 2.03–28.60 ± 7.32 nM for hCA II. Notably, compound 10 was the most selective and potent CA I inhibitor with a significant selectivity ratio of 26.90.
Archaeoastronomy of Teotihuacan and Tenochtitlan
Authors: Gullberg Steven R. , Layser Christopher
Published: January 2021

In this paper, we discuss the astronomical orientations in the city plans of Teotihuacan and Tenochtitlan. Mesoamerica exhibits much archaeoastronomy and these two sites are rich examples. Both exhibit alignments for solar horizon events that are integral in deliberate calendrical systems. The logic of these systems is shown, and this demonstrates that these cities were carefully planned with astronomical knowledge.
Neurofeedback training improves anxiety trait and depressive symptom in GAD
Authors: Hou Yue , Zhang Shuqin , Li Ning , Huang Zhaoyang , Wang Li , Wang Yuping
Published: January 2021

Objective

To investigate the effectiveness of alpha activity neurofeedback training over the parietal lobe in GAD patients.

Methods

Twenty‐six female patients who had been diagnosed as GAD according to the Diagnostic and Statistical Manual of Mental Disorders (5th edition, DSM‐V) criteria were included in this study. Patients were randomized into two groups: the left parietal lobe training group (LPL group, n = 13) and the right parietal lobe training group (RPL group, n = 13), and then received ten 40‐minute alpha training sessions in the relevant area. Evaluations included severity of anxiety (by State‐Trait Anxiety Inventory, STAI) and depression (by Beck Depression Inventory, BDI‐II) after the fifth training session and the last training session.

Results

The scores of STAI‐S decreased significantly two weeks after the fifth training session in both groups (LPL group: from 47.15 ± 10.65 to 38.69 ± 8.78, p<.05; RPL group: from 44.92 ± 12.37 to 37.31 ± 6.41, p < .05) and decreased further at the four weeks’ time point after the last training session (LPL group: 35.15 ± 9.24; RPL group: 29.85 ± 6.18). Compared with baseline, the scores of STAI‐T, BDI‐II and ISI decrease at two weeks, no significant difference found between LPL group and RPL group. The scores of STAI‐T, BDI‐II and ISI decreased at four weeks when compared with two weeks, and no significant difference found between LPL group and RPL group.

Conclusion

Neurofeedback training of alpha activity over the parietal lobe is effective in GAD patients, especially the anxiety trait and depressive symptoms.
Guidelines for the development of educational games to motivate the learning of theoretical concepts in Engineering and Computing courses
Authors: Yuxuan Chen , Souza Rogéria C. G. , Contessoto Allan G. , Amorim Anderson R.
Published: January 2021

Educational software, especially gaming, have been the target of research in different areas due to their potential benefits in promoting more dynamic, interactive, and motivating learning. The use of educational games for teaching in Engineering and Computing courses, such as Electrical Engineering, Computer Engineering, Software Engineering, and Computer Science, given the familiarity of these students with computers, can promote greater engagement in the study of theoretical concepts. However, existing educational games still lack the good motivational quality considered essential to ensure real learning. In this context, this paper defines guidelines that address the development of educational games focusing on motivational quality. To support the definition of these guidelines, different motivational methods, together with the attributes that can be improved in a student such as autonomy, effort, and overcoming, were analyzed. These guidelines were applied in the development of an educational game prototype as proof of concept to confirm its effective applicability and its contributions to motivate students. The prototype was assessed by 118 students of the higher education in Computing for 15 days. The majority of participants in the assessment process attested that the prototype meets the motivational quality subcriteria, promoting fun (55%), challenge (68%), social interaction (59%), and feeling of satisfaction (74%). It was then possible to verify its attendance to the desired motivational quality and attest to the potential of the established guidelines.
Membrane‐Supported Liquid‐Liquid Extraction – Where Do We Stand Today?
Authors: Riedl Wolfgang
Published: January 2021

Thanks to advances in materials science and manufacturing technology, membranes are now available for stable liquid‐liquid extraction processes. Rigorous calculation models can be used to calculate the membrane areas required for a specific separation task as well as to optimize the module design. Rapid tests can determine the basic suitability and kinetic parameters. Thus, the general requirements for exploiting the specific advantages of this separation technology in technical applications are fulfilled.
Heartech® left ventricular partitioning device improves left ventricular systolic function of patients with chronic heart failure post‐myocardial infarction at 1‐year follow‐up
Authors: Su Xiuxiu , Yang Wenbo , Zhu Zhengbin , Zhang Ruiyan , Fang Yuehua
Published: January 2021

Objectives

This study presents 1‐year follow‐up data of echocardiographic outcomes in patients who received the Heartech® left ventricular (LV) partitioning device (LVPD) (Xinrui Medical Equipment Co. Ltd., Shanghai, China).

Background

Our first‐in‐man study of the Heartech® LVPD confirmed its safety and efficacy in patients with chronic heart failure (HF) post‐myocardial infarction (MI) 1 month post‐implantation. This subsequent study reports the echocardiographic outcomes of these patients at 1 year of follow‐up.

Methods

Fifteen patients with HF post‐MI from three cardiac intervention centers in China were successfully implanted with the Heartech® LVPD via percutaneous ventricular restoration procedures. Echocardiographic parameters—including LV systolic function, diastolic function, two‐dimensional speckle‐tracking analysis, and right ventricular systolic function—were obtained before device implantation and at 1 month and 1 year postoperatively.

Results

There was no deterioration of LV diastolic function, specific strain parameters, or right ventricular function at 1 year. Relative to the echocardiographic parameters recorded before the procedure, the LV ejection fraction (32.47 ± 6.98% vs. 42.5 ± 7.41%; p = .001) was significantly improved at 1 year, while the LV end‐diastolic volume index (106.29 ± 28.01 vs. 83.30 ± 31.71; p = .005) and end‐systolic volume index were significantly reduced (72.47 ± 22.77 vs. 50.00 ± 19.70; p = .001).

Conclusions

One‐year echocardiographic follow‐up results confirmed that no deterioration of LV diastolic function or specific strain parameters was observed and LV systolic function was significantly improved in patients with HF post‐MI who were implanted with the Heartech® LVPD.
Effects of varying levels of succinylation and hydroxypropylation on functional, thermal and textural characteristics of white sorghum starch
Authors: Mehboob Sundus , Mohsin Ali Tahira , Shaikh Marium , Hasnain Abid
Published: January 2021

Background and objectives

Starch is a versatile storage biopolymer with exceptional physicochemical properties. However, sometimes it owes certain functional inabilities in the native form which could be effectively overcome by chemical modifications to meet specific requirements. The present study was conducted to improve the functional properties of native sorghum starch chemically modifying via succinylation and hydroxypropylation. Native sorghum starch was modified with different concentrations of succinic anhydride and propylene oxide and was subsequently analyzed for physicochemical, thermal, and textural properties.

Findings

The swelling power and water retention capacity tend to improve upon substitution with succinyl and hydroxypropyl groups while succinylation did not have any pronounced effect on solubility of sorghum starch. All modified starches resulted in more clear starch paste than native starch but hydroxypropylated starch pastes were the most transparent to light. Succinylation did not bring about any change in pasting temperature; however, peak viscosity, hot paste viscosity, and cold paste viscosity increased significantly. Hydroxypropylated starches exhibited lower pasting temperature, higher peak viscosity for only starch substituted with 30% propylene oxide. Thermal gelatinization temperatures and enthalpy of gelatinization were significantly reduced after hydroxypropylation of sorghum starch. Percent retrogradation (%R) was significantly reduced for starches treated with 3% and 4% succinic anhydride and for all hydroxypropylated starches.

Conclusions

We concluded that hydroxypropylated starch substituted with 30% reagent exhibited the most desirable physicochemical properties and the lowest retrogradation.

Significance and novelty

This study highlighted the benefits of using different concentrations of succinic anhydride and propylene oxide to improve the functional properties of sorghum starch.
Retained fecalith following laparoscopic appendectomy
Authors: Kim Yegi Sandy , Kong Joseph Cherng , Williams Evan , Warrier Satish K.
Published: January 2021

It is important to identify a retained fecalith and remove that infective nidus to decrease the morbidity in patients undergoing laparoscopic appendectomy for perforated appendicitis.
Unravelling the Origin of Enhanced Electrochemical Performance in CoSe2−MoSe2 Interfaces
Authors: Cogal Sadik , Ramani Swetha , Bhethanabotla Venkat R. , Kuhn John N.
Published: January 2021

Defect and interface engineering have been shown as effective strategies towards sustainable hydrogen production, but detailed descriptions of the origin of performance enhancements is not established. Here, we synthesize a model heterostructure interface, CoSe2−MoSe2/PEDOT, to unravel its bifunctional capability. Low η10 of −0.20 V for HER and 1.53 V for OER verified the electrocatalytic performance of this catalyst. We systematically reveal intrinsic point defects and lattice dislocations in these heterostructures. Atomic scale electron microscopy studies disclose presence of VSe and Mo−Mo bond defects. Spectroscopic techniques are employed to show the altered electronic properties that promote surface oxidation due to the presence of defects. In contrast to MoSe2 or MoSe2/PEDOT, defect rich CoSe2−MoSe2/PEDOT showed accelerated reaction kinetics with much lower Tafel slopes. Essentially, generation of anion vacancies and metallic Mo−Mo bonds provide additional sites with improved adsorption properties of the reaction intermediates. This catalyst exhibits excellent electrocatalytic stability upon cycling for both half‐cell reactions.
Highly Enhanced Visible‐light Photocatalytic Activity via a Novel Surface Structure of CeO2/g−C3N4 toward Removal of 2,4‐dichlorophenol and Cr(VI)
Authors: Guo Lei , Yang Jingxia , Zhang Huiqing , Wang Runkai , Xu Jingli , Wang Jinjie
Published: January 2021

Photocatalysis is an efficient and eco‐friendly method of solving the environmental problems, but the low charge separation efficiency of photocatalysts limits their application. Herein, we report the fabrication of CeO2/g−C3N4 composites via an in‐situ growth of CeO2 on the dispersed g−C3N4 sheets (CN−OH) in an strong KOH condition, and the resultant CeO2/CN−OH composites set up a new interface structure, which demonstrate a dramatically boosted the photocatalytic activity compared with CeO2/g−C3N4 composites by conventional two‐step combination method. The decomposition efficiency of CeO2/CN−OH for 2,4‐dichlorophenol (2,4‐DCP) degradation comes up to 6 times of bare CeO2 or g−C3N4. Compared to conventional CeO2/g−C3N4, the CeO2/CN−OH showed 65.9 % and 23.2 % improvement for 2,4‐DCP and Cr(VI) removal, respectively. The significantly enhanced photodegradation ascribe to the alkaline modified CN−OH and the fabrication of CeO2/CN−OH n–n type heterojunction, both can improve the charge separation efficiency and increase the reaction active sites. Furthermore, the probable pathway and concreted photocatalytic mechanism for 2,4‐DCP degradation are proposed based on the detected intermediate products.
Experimental and Theoretical Investigation of the Structural and Opto‐electronic Properties of Fe‐Doped Lead‐Free Cs2AgBiCl6 Double Perovskite
Authors: Thawarkar Sachin , Rondiya Sachin R. , Dzade Nelson Y. , Khupse Nageshwar , Jadkar Sandesh
Published: January 2021

Lead‐free double perovskites have emerged as stable and non‐toxic alternatives to Pb‐halide perovskites. Herein, the synthesis of Fe‐doped Cs2AgBiCl6 lead‐free double perovskites are reported that display blue emission using an antisolvent method. The crystal structure, morphology, optical properties, band structure, and stability of the Fe‐doped double perovskites were investigated systematically. Formation of the Fe‐doped Cs2AgBiCl6 double perovskite is confirmed by X‐ray diffraction (XRD) and X‐ray photoelectron spectroscopy (XPS) analysis. XRD and thermo‐gravimetric analysis (TGA) shows that the Cs2AgBiCl6 double perovskite has high structural and thermal stability, respectively. Field emission scanning electron microscopy (FE‐SEM) analysis revealed the formation of dipyramidal shape Cs2AgBiCl6 crystals. Furthermore, energy‐dispersive X‐ray spectroscopy (EDS) mapping shows the overlapping of Cs, Bi, Ag, Fe, and Cl elements and homogenous incorporation of Fe in Cs2AgBiCl6 double perovskite. The Fe‐doped Cs2AgBiCl6 double perovskite shows a strong absorption at 380 nm. It extends up to 700 nm, suggesting that sub‐band gap states transition may originate from the surface defect of the doped perovskite material. The radiative kinetics of the crystals was studied using the time‐correlated single‐photon counting (TCSPC) technique. Lattice parameters and band gap value of the Fe‐doped Cs2AgBiCl6 double perovskites predicted by the density functional theory (DFT) calculations are confirmed by XRD and UV/Visible spectroscopy analysis. Time‐dependent photo‐response characteristics of the Fe‐doped Cs2AgBiCl6 double perovskite show fast response and recovery time of charge carriers. We believe that the successful incorporation of Fe in lead‐free, environmentally friendly Cs2AgBiCl6 double perovskite can open a new class of doped double perovskites with significant potential optoelectronics devices fabrication and photocatalytic applications.
Water‐based polyurethanes for sustainable advanced manufacture
Authors: Si Pengxiang , Zhao Boxin
Published: January 2021

Polyurethanes (PUs) are a class of versatile polymers; their structure and morphology can be readily tailored to exhibit various mechanical, physical, chemical, and biological properties. PUs have been employed in a variety of industrial applications including foams, coatings, textiles, machinery, sporting, transportation, vehicles, and construction. Water‐based PU was developed to reduce the usage of volatile organic compounds (VOCs) in the synthesis of conventional solvent‐based PU, and exhibits advantages of superior material properties (eg, flexibility, stretchability, elasticity, mechanical strength), processability (eg, 3D printing, inkjet printing, screen printing, spray coating, moulding), and sustainability (eg, low VOCs, degradable). Water‐based PU combines the superior mechanical properties of PU with the excellent stability of colloids. The current research trend of PU is shifting from traditional industrial applications to state‐of‐the‐art fields such as soft and wearable electronics, energy storage devices, biosensors, actuators, photovoltaic devices, and stimuli‐responsive materials. Due to the existence of a variety of functional groups such as urethane, aliphatic or aromatic hydrocarbons, esters, ethers, amides, and urea, water‐based PU can be physically or chemically incorporated with functional materials to form PU colloidal composites towards various applications. This paper summarizes the fundamentals of water‐based PU and their colloidal properties and reviews the advanced printing manufacture and the latest explorations of water‐based PU for emerging flexible and stretchable electronics.
Highly selective solvent extraction of Zn(II) and Cr(III) with trioctylmethylammonium chloride ionic liquid
Authors: Alves‐Lima Décio F. , Rodrigues Carmina F. , Pinheiro Carolina T. , Gando‐Ferreira Licínio M. , Quina Margarida J. , Ferreira Abel G.
Published: January 2021

This study investigates the recovery of Zn(II) and Cr(III) from aqueous solutions based on solvent extraction with trioctylmethylammonium chloride [TOMA+][Cl‐], commercialy named Aliquat 336. Single metal solutions and binary mixtures of both metals were considered. The effect of relevant operating conditions such as pH, contact time, initial concentration, O/A phase volumetric ratio, and temperature were evaluated. Additionally, loading capacity and stripping studies were performed. Results showed that [TOMA+][Cl−] is an effective extracting agent for Zn(II), reaching maximum removal capacity at pH 1.8 and demonstrating fast extraction kinetics. Extraction efficiencies above 99% were achieved at 0.5, 0.75, and 1.00 O/A volumetric phase ratios for 0.1 g/L initial Zn(II) concentration. At 1 g/L and 10 g/L concentration, for the same O/A ratios, approximately 88% of the initial Zn(II) was extracted. In contrast, it was found that negligible amounts of Cr(III) were transferred to the [TOMA+][Cl−] phase at the 1‐5 pH range. Selectivity studies showed that Zn(II) removal is boosted in the presence of Cr(III), although no Cr(III) is extracted. [TOMA+][Cl−] exhibited a high Zn(II) storage capacity, since after 25 loading cycles with 1 g/L, the loading capacity reached approximately 13.5 g/L, and after five loading cycles with 5 g/L, the capacity reached 19.4 g/L. Stripping tests revealed that NaOH is an efficient agent for the removal of Zn(II) from the ionic liquids, reaching 98.5% removal after two cycles, whereas HNO3 is not a suitable agent, reaching less than 40% removal after three cycles. [TOMA+][Cl−] revealed high potential for separating Zn(II) from Cr(III).
Improving Data Analysis in Chemistry and Biology Through Versatile Baseline Correction
Authors: Schneidewind Jacob , Olickel Hrishi
Published: January 2021

Invited for this month's cover is the group of Jacob Schneidewind from Leibniz‐Institute for Catalysis (Germany). The cover picture shows a cartoonish view into polymerase chain reaction: DNA molecules are amplified, resulting in the amplification curve on which they are walking. When analyzing this data, however, such a curve becomes a challenge for baseline correction algorithms. This is due to the vertical offset of datapoints before and after the curve. A newly developed algorithm accounts for this offset and is represented by an elevator, which takes all of the DNA molecules up the offset and to their destination. The left to right transition also represents the effect of transforming noisy data into clean signals, and sad DNA molecules into happy helixes. Data analysis challenges like this are encountered in various situations in chemistry and biology, to a selection of which the algorithm is applied, illustrating its utility. Read the full text of their Full Paper at 10.1002/cmtd.202000027.
Understanding Structural and Transport Properties of Dissolved Li2S8 in Ionic Liquid Electrolytes through Molecular Dynamics Simulations
Authors: Hu Tianyuan , Wang Yanlei , Huo Feng , He Hongyan , Zhang Suojiang
Published: January 2021

Lithium‐sulfur batteries with high energy density are considered as one of the most promising future energy storage devices. However, the parasitic lithium polysulfides shuttle phenomenon severely hinders the commercialization of such batteries. Ionic liquids have been found to suppress the lithium polysulfides solubility, diminishing the shuttle effect effectively. Herein, we performed classical molecular dynamics simulations to explore the microscopic mechanism and transport behaviors of typical Li2S8 species in ionic liquids and ionic liquid‐based electrolyte systems. We found that the trifluoromethanesulfonate anions ([OTf]−) exhibit higher coordination strength with lithium ions compared with bis(trifluoromethanesulfonyl)imide anions ([TFSI]−) in static microstructures. However, the dynamical characteristics indicate that the presence of the [OTf]− anions in ionic liquid electrolytes bring faster Li+ exchange rate and easier dissociation of Li+ solvation structures. Our simulation models offer a significant guidance to future studies on designing ionic liquid electrolytes for lithium‐sulfur batteries.
Physiologically‐Based Pharmacokinetic Modeling of Remdesivir and Its Metabolites to Support Dose Selection for the Treatment of Pediatric Patients With COVID‐19
Authors: Lutz Justin D. , Mathias Anita , German Polina , Pikora Cheryl , Reddy Sunila , Kirby Brian J.
Published: January 2021

Severe coronavirus disease 2019 (COVID‐19) disease, including multisystem inflammatory syndrome, has been reported in children. This report summarizes development of a remdesivir physiologically‐based pharmacokinetic (PBPK) model that accurately describes observed adult remdesivir and metabolites exposure and predicts pediatric remdesivir and metabolites exposure. The adult PBPK model was applied to predict pediatric remdesivir and metabolites steady‐state exposures using the Pediatric Population Model in SimCYP and incorporated the relevant physiologic and mechanistic information. Model development was based on adult phase I exposure data in healthy volunteers who were administered a 200‐mg loading dose of remdesivir intravenous (IV) over 0.5 hours on Day 1, then 100‐mg daily maintenance doses of IV over 0.5 hours starting on Day 2 and continuing through Days 5 or 10. Simulations indicated that use of the adult therapeutic remdesivir dosage regimen (200‐mg loading dose on Day 1 then 100‐mg daily maintenance dose starting on Day 2) in pediatric patients ≥ 40 kg and a weight‐based remdesivir dosage regimen (5‐mg/kg loading dose on Day 1 then 2.5‐mg/kg daily maintenance dose starting on Day 2) in pediatric patients weighing 2.5 to < 40 kg is predicted to maintain therapeutic exposures of remdesivir and its metabolites. The comprehensive PBPK model described in this report supported remdesivir dosing in planned pediatric clinical studies and dosing in the emergency use authorization and pediatric compassionate use programs that were initiated to support remdesivir as a treatment option during the pandemic.
Workflow scheduling in cloud environment using a novel metaheuristic optimization algorithm
Authors: Ramathilagam Arunagiri , Vijayalakshmi Kandasamy
Published: January 2021

Workflow scheduling is the most focused research issue in the on‐demand clouds where the user satisfaction like cost and bandwidth is more difficult. Several research works have been conducted earlier towards performing reliable workflow scheduling with the aim of reducing cost or execution time. However, those works lack to produce better result by compromising any attributes for attaining the goal. The existing work lacks from the security where the tasks might get corrupted during execution. To resolve this problem, an Enhanced Artificial Fish Swarm Algorithm (EAFSA)‐based IaaS Cloud Partial Critical Path (IC‐PCP) Replication and Hyper Elliptic Curve Cryptography (EAFSAIPR with HECC) is proposed. The main goal is to perform better workflow scheduling which can complete the task execution before deadline given by the users. This is done by predicting the early start time and latest finish time using EAFSA algorithm, so that task replication can be made to meet the soft deadline constraint. The task authentication is done efficiently using HEEC algorithm, so that corruption from malicious users can be avoided. The task replication is done securely using the cryptographic algorithm. The proposed EAFSAIPR with HECC algorithm uses idle time of provisioned resources to replicate workflow tasks optimally. The proposed EAFSAIPR algorithm scheduler focused to ensure the lowest cost while serving a deadline set by the user. The experimental results show that the scheduler can find good schedules of deadlines being met and reduces the total execution time of applications as the budget available for replication increases.
One‐Pot Synthesis of 5‐Amino‐1,2,3‐triazole Derivatives via Dipolar Azide−Nitrile Cycloaddition and Dimroth Rearrangement under Solvent‐Free Conditions
Authors: Gribanov Pavel S. , Atoian Edita M. , Philippova Anna N. , Topchiy Maxim A. , Asachenko Andrey F. , Osipov Sergey N.
Published: January 2021

An efficient one‐pot methodology for the preparation of 5‐amino‐1,2,3‐triazole derivatives based on the combination of dipolar azide−nitrile cycloaddition with Dimroth rearrangement under solvent‐free conditions has been developed.