bluuebunny/crossref_metadata_2025 huggingface dataset:
Designing and Understanding the Superior Potassium Storage Performance of Nitrogen/Phosphorus Co‐Doped Hollow Porous Bowl‐Like Carbon Anodes
Authors: Chen Jiamin , Cheng Yong , Zhang Qiaobao , Luo Chong , Li Hong‐Yang , Wu Ying , Zhang Hehe , Wang Xiang , Liu Haodong , He Xin , Han Jiajia , Peng Dong‐Liang , Liu Meilin , Wang Ming‐Sheng
Published: November 2020

Potassium‐ion batteries (PIBs) are promising alternatives to lithium‐ion batteries because of the advantage of abundant, low‐cost potassium resources. However, PIBs are facing a pivotal challenge to develop suitable electrode materials for efficient insertion/extraction of large‐radius potassium ions (K+). Here, a viable anode material composed of uniform, hollow porous bowl‐like hard carbon dual doped with nitrogen (N) and phosphorus (P) (denoted as N/P‐HPCB) is developed for high‐performance PIBs. With prominent merits in structure, the as‐fabricated N/P‐HPCB electrode manifests extraordinary potassium storage performance in terms of high reversible capacity (458.3 mAh g−1 after 100 cycles at 0.1 A g−1), superior rate performance (213.6 mAh g−1 at 4 A g−1), and long‐term cyclability (205.2 mAh g−1 after 1000 cycles at 2 A g−1). Density‐functional theory calculations reveal the merits of N/P dual doping in favor of facilitating the adsorption/diffusion of K+ and enhancing the electronic conductivity, guaranteeing improved capacity, and rate capability. Moreover, in situ transmission electron microscopy in conjunction with ex situ microscopy and Raman spectroscopy confirms the exceptional cycling stability originating from the excellent phase reversibility and robust structure integrity of N/P‐HPCB electrode during cycling. Overall, the findings shed light on the development of high‐performance, durable carbon anodes for advanced PIBs.
Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction
Authors: Guo Xiangyu , Lin Shiru , Gu Jinxing , Zhang Shengli , Chen Zhongfang , Huang Shiping
Published: November 2020

To achieve efficient ammonia synthesis via electrochemical nitrogen reduction reaction (NRR), a qualified catalyst should have both high specific activity and large active surface area. However, integrating these two merits into one single material remains a big challenge due to the difficulty in balancing multiple reaction intermediates. Here, it is demonstrated that the boron‐analogues of MXenes, namely “MBenes”, could cope with the challenge and achieve the high activity and large reaction region simultaneously toward NRR. Using extensive density functional theory computations and taking 16 MBenes as representatives, it is identified that seven MBenes (CrB, MoB, WB, Mo2B, V3B4, CrMnB2, and CrFeB2) not only have intrinsic basal plane activity for NRR with limiting potentials ranging from −0.22 to −0.82 V, but also possess superior capability of suppressing the competitive hydrogen evolution reaction. Particularly, different from the MXenes whose surface oxidation may block the active sites, once oxidized, these MBenes can catalyze NRR via the self‐activating process, reducing O*/OH* into H2O* under reaction conditions, and favoring the N2 electroreduction. As a result, the exceptional activity and selectivity, high active area (≈1019 m−2), and antioxidation nature render these MBenes as pH‐universal catalysts for NH3 production without introducing any dopants and defects.
Advanced Functional Electroactive and Photoactive Materials for Monitoring the Environmental Pollutants
Authors: Yan Kai , Karthick Kannan Padmanathan , Doonyapisut Dulyawat , Wu Kangbing , Chung Chan‐Hwa , Zhang Jingdong
Published: November 2020

Functional materials with attractive electronic and photoelectronic properties show great promise in various fields. In recent decades, tremendous research efforts have been devoted to the design of photoactive and electroactive materials for qualitative and quantitative analysis of environmental pollutants. This review gives a concise overview on the fundamentals and recent research progress of functional material‐based electrochemical and photoelectrochemical technology for environmental pollutant monitoring. The rational design of functional photoactive and electroactive materials with promoted electrochemical properties and basic signaling strategies for electrochemical and photoelectrochemical sensors are presented. Based on these insights, very recent achievements for electrochemical and photoelectrochemical environmental pollutant sensors are summarized from the viewpoint of various functional materials. At last, critical challenges and future research perspectives in this field are proposed and discussed to provide a backdrop for future research.
Hydrogen‐Doping‐Induced Metal‐Like Ultrahigh Free‐Carrier Concentration in Metal‐Oxide Material for Giant and Tunable Plasmon Resonance
Authors: Zhu Qing , Jiang Shenlong , Ye Ke , Hu Wei , Zhang Jiachen , Niu Xiaoyou , Lin Yunxiang , Chen Shuangming , Song Li , Zhang Qun , Jiang Jun , Luo Yi
Published: November 2020

The practical utilization of plasmon‐based technology relies on the ability to find high‐performance plasmonic materials other than noble metals. A key scientific challenge is to significantly increase the intrinsically low concentration of free carriers in metal‐oxide materials. Here, a novel electron–proton co‐doping strategy is developed to achieve uniform hydrogen doping in metal‐oxide MoO3 at mild conditions, which creates a metal‐like ultrahigh free‐carrier concentration approaching that of noble metals (1021 cm−3 in H1.68MoO3 versus 1022 cm−3 in Au/Ag). This bestows giant and tunable plasmonic resonances in the visible region to this originally semiconductive material. Using ultrafast spectroscopy characterizations and first‐principle simulations, the formation of a quasi‐metallic energy band structure that leads to long‐lived and strong plasmonic field is revealed. As verified by the surface‐enhanced Raman spectra (SERS) of rhodamine 6G molecules on HxMoO3, the SERS enhancement factor reaches as high as 1.1 × 107 with a detection limit at concentration as low as 1 × 10−9 mol L−1, representing the best among the hitherto reported non‐metal systems. The findings not only provide a set of metal‐like semiconductor materials with merits of low cost, tunable electronic structure, and plasmonic resonance, but also a general strategy to induce tunable ultrahigh free‐carrier concentration in non‐metal systems.
A Surface Se‐Substituted LiCo[O2−δSeδ] Cathode with Ultrastable High‐Voltage Cycling in Pouch Full‐Cells
Authors: Zhu Zhi , Wang Hua , Li Yao , Gao Rui , Xiao Xianghui , Yu Qipeng , Wang Chao , Waluyo Iradwikanari , Ding Jiaxin , Hunt Adrian , Li Ju
Published: November 2020

Cycling LiCoO2 to above 4.5 V for higher capacity is enticing; however, hybrid O anion‐ and Co cation‐redox (HACR) at high voltages facilitates intrinsic Oα− (α < 2) migration, causing oxygen loss, phase collapse, and electrolyte decomposition that severely degrade the battery cyclability. Hereby, commercial LiCoO2 particles are operando treated with selenium, a well‐known anti‐aging element to capture oxygen‐radicals in the human body, showing an “anti‐aging” effect in high‐voltage battery cycling and successfully stopping the escape of oxygen from LiCoO2 even when the cathode is cycled to 4.62 V. Ab initio calculation and soft X‐ray absorption spectroscopy analysis suggest that during deep charging, the precoated Se will initially substitute some mobile Oα− at the charged LiCoO2 surface, transplanting the pumped charges from Oα− and reducing it back to O2− to stabilize the oxygen lattice in prolonged cycling. As a result, the material retains 80% and 77% of its capacity after 450 and 550 cycles under 100 mA g−1 in 4.57 V pouch full‐cells matched with a graphite anode and an ultralean electrolyte (2 g Ah−1).
Tissue‐Adaptive Materials with Independently Regulated Modulus and Transition Temperature
Authors: Zhang Daixuan , Dashtimoghadam Erfan , Fahimipour Farahnaz , Hu Xiaobo , Li Qiaoxi , Bersenev Egor A. , Ivanov Dimitri A. , Vatankhah‐Varnoosfaderani Mohammad , Sheiko Sergei S.
Published: November 2020

The ability of living species to transition between rigid and flexible shapes represents one of their survival mechanisms, which has been adopted by various human technologies. Such transition is especially desired in medical devices as rigidity facilitates the implantation process, while flexibility and softness favor biocompatibility with surrounding tissue. Traditional thermoplastics cannot match soft tissue mechanics, while gels leach into the body and alter their properties over time. Here, a single‐component system with an unprecedented drop of Young's modulus by up to six orders of magnitude from the GPa to kPa level at a controlled temperature within 28–43 °C is demonstrated. This approach is based on brush‐like polymer networks with crystallizable side chains, e.g., poly(valerolactone), affording independent control of melting temperature and Young's modulus by concurrently altering side chain length and crosslink density. Softening down to the tissue level at the physiological temperature allows the design of tissue‐adaptive implants that can be inserted as rigid devices followed by matching the surrounding tissue mechanics at body temperature. This transition also enables thermally triggered release of embedded drugs for anti‐inflammatory treatment.
Blood‐Derived Biomaterial for Catheter‐Directed Arterial Embolization
Authors: Altun Izzet , Hu Jingjie , Albadawi Hassan , Zhang Zefu , Salomao Marcela A. , Mayer Joseph L. , Jamal Leila , Oklu Rahmi
Published: November 2020

Vascular embolization is a life‐saving minimally invasive catheter‐based procedure performed to treat bleeding vessels. Through these catheters, numerous metallic coils are often pushed into the bleeding artery to stop the blood flow. While there are numerous drawbacks to coil embolization, physician expertise, availability of these coils, and their costs further limit their use. Here, a novel blood‐derived embolic material (BEM) with regenerative properties, that can achieve instant and durable intra‐arterial hemostasis regardless of coagulopathy, is developed. In a large animal model of vascular embolization, it is shown that the BEM can be prepared at the point‐of‐care within 26 min using fresh blood, it can be easily delivered using clinical catheters to embolize renal and iliac arteries, and it can achieve rapid hemostasis in acutely injured vessels. In swine arteries, the BEM increases cellular proliferation, angiogenesis, and connective tissue deposition, suggesting vessel healing and durable vessel occlusion. The BEM has significant advantages over embolic materials used today, making it a promising new tool for embolization.
Superabsorbent Fabric Based on Weft‐Back Weave Structure for Efficient Evaporative Cooling
Authors: Li Xiaoyan , Javed Muhammad , Guo Yang , Luo Ming , Cai Zaisheng , Xu Bi
Published: November 2020

Fabrics with efficient evaporative cooling performance not only improve personal thermal comfort but also show essential significance in energy‐saving. This study reports an integrated cooling fabric based on the weft‐back weave structure. By adjusting the type of warp and weft yarns, water absorbency and wettability of the fabric can be altered to achieve the regulation of the fabric's performance. The prepared single‐sided superabsorbent cooling fabric (S‐SAF) shows a water absorbency of 370% and a water retention time of 90 min. S‐SAF can efficiently reduce the indoor temperature of a simulated building by about 6 °C under the radiation of 200 W m−2, and the cooling time is extended up to 150 min. Meanwhile, S‐SAF shows excellent evaporative cooling for the human body and exhibits good recyclability. Therefore, the prepared cooling fabric achieves thermal comfort under a hot and dry environment and has broad application prospects in person and building cooling.
Photoluminescence Excitation Spectroscopy of Defect‐Related States in MAPbI3 Perovskite Single Crystals
Authors: Murzin Aleksei O. , Selivanov Nikita I. , Kozlov Vadim O. , Ryzhov Ivan I. , Miyasaka Tsutomu , Emeline Alexei V. , Kapitonov Yury V.
Published: November 2020

The MAPbI3 halide perovskite single crystals are studied at 5 K temperature using the photoluminescence excitation spectroscopy. Two noninteracting types of states are determined: bound excitons and defect‐related states. Excitation of the crystal with light energy below the bound exciton resonance reveals the complex low‐density defect emission, otherwise hidden by the emission of bound excitons. A way to separate these defect‐related luminescence spectra is proposed, and the thorough study of this emission regime is carried out. The results of this study open an area of low‐density defect and dopant exploration in halide perovskite semiconductors.
Focus‐Tunable Planar Lenses by Controlled Carriers over Exciton
Authors: Park Sehong , Park Chaebin , Hwang Yun Ji , Kang Jeongseob , Lee Gilho , Seo Youngho , Chun Young Tea , Rho Junsuk , Kim Jong Min , Hone James , Jun Seong Chan
Published: November 2020

While recent studies on nanoscale diffractive lenses demonstrate their potential as possible candidates for thin‐film display applications, their narrow focal ranges limit their application. Graphene, however, may realize focal controllability for its unique optoelectric property; due to its unique band structure among 2D materials, its carriers can be controlled by adjusting the Fermi level. Furthermore, due to the bandgap property of graphene, the intraband excitation of carriers is dominant over the interband excitation of carriers, which results in enhanced photonic transmission and reduced absorbance. Utilizing this property, graphene‐based ultrathin focusing device is fabricated that alters its optical characteristics when direct‐current voltage is applied producing vertical fringe‐specific electric field. The proposed device demonstrates 8.6% change in focal length and 48.85% focusing efficiency at wavelength of 405 nm. Overall, this study on electrically tunable ultrathin microlens introduces potential for holographic displays and expands the research scope in future display technologies.
The Future of Perovskite Photovoltaics—Thermal Evaporation or Solution Processing?
Authors: Vaynzof Yana
Published: November 2020

The last decade has seen remarkable advancements in the field of perovskite materials and photovoltaic technologies. One of their most extraordinary characteristics is the high quality of layers that can be obtained by “dirty processing” from solution at low temperatures. Alternatively, perovskites can also be deposited by thermal evaporation, a clean, solvent‐free process, which is well established for many industrial applications. Although the vast majority of research reports focus on solution‐processing as the deposition method for perovskite solar cells, thermally evaporated perovskite solar cells are closing in the performance gap with several reports of efficiencies above 20%. In this Progress Report, the two deposition methods are briefly introduced, the key developments in photovoltaic devices based on each deposition technique are outlined, and the challenges and future possibilities are discussed.
Influence of dielectric property of organic sulfur compounds on coal microwave desulfurization
Authors: Ge Tao , Li Fen , Li Yang
Published: November 2020

The present study aims to reveal the influence mechanism of organic sulfur structures and microwave frequency on its dielectric property and establish the relationship between the dielectric properties of organic sulfur components in coal and the efficiency of microwave desulfurization. Results showed that the different polarization mechanisms of organic sulfur compounds lead to the real part of complex permittivity decreased initially and then increased with increasing frequency. At the same time, the real parts of the complex permittivity of mercaptan and thioether compounds were higher than that of thiophene, which were caused by their different structures. As the frequency increased, the loss tangent, microwave penetration depth, and absorption index showed decline in oscillation. The loss tangent was mainly related to the polarization mechanism; both polarization mechanism and microwave wavelength had effect on the changes of microwave penetration depth and absorption index. Mercaptan and thioether compounds were more effective at converting microwave energy into heat energy. After microwave processing, the relative content of mercaptan (thioether) in GZ, CQ, and SX coals decreased from 37.38%, 36.93%, and 40.02% to 27.34%, 29.26%, and 26.67% and of thiophene increased from 47.61%, 53.35%, and 49.54% to 58.76%, 59.09%, and 60.38%.
Tillandsia Aeranthos flower‐like magnetic nanostructures confined into polyvinyl alcohol beads
Authors: Pereda Camila , Actis Daniel G. , Mendoza Zélis Pedro , Alvarez Vera A. , Sanchez Laura M.
Published: November 2020

Magnetic beads composed by polyvinyl alcohol and iron oxides were developed and fully characterized. The materials were not only cross‐linked by a physical treatment but also the magnetic nanoparticles (MNPs) are acting as cross‐linking dots. Interestingly, the analysis of scanning electron micrographs revealed that, in the case of hydrated samples, flower‐like structures (average diameter 6–9 μm) being constituted by MNPs were present, whereas when the beads were dried the MNPs structure changed to porous spheres (average diameter 2–3 μm). Some of the prepared materials were tested to determine their capability to act as water remediation devices, and good removal results were obtained toward both methylene blue (average removal efficiency higher than 80%) and methyl orange (average removal efficiency lower than 30%) adsorption. The experiments performed confirmed that the adsorbent, once the treatment has ended, can be removed off through the simple employment of a permanent magnet.
Why does COVID‐19 pathology have several clinical forms?
Authors: Aliabadi Fatemeh , Ajami Marjan , Pazoki–Toroudi Hamidreza
Published: November 2020

The outbreak of a new, potentially fatal virus, SARS‐COV‐2, which started in December 2019 in Wuhan, China, and since developed into a pandemic has stimulated research for an effective treatment and vaccine. For this research to be successful, it is necessary to understand the pathology of the virus. So far, we know that this virus can harm different organs of the body. Although the exact mechanisms are still unknown, this phenomenon may result from the body's secretion of prostaglandin E2 (PGE2), which is involved in several inflammation and immunity pathways. Noticeably, the expression of this molecule can lead to a cytokine storm causing a variety of side effects. In this paper, we discuss those side effects in SARS‐COV‐2 infection separately to determine whether PGE2 is, indeed, an important causative factor. Lastly, we propose a mechanism by which PGE2 production increases in response to COVID‐19 disease and suggest the possible direct relation between PGE2 levels and the severity of this disease. Also see the video abstract here: https://youtu.be/SnPFAcjxxKw.
Auditory–Visual stimuli: Effects on derived relations with compound stimuli
Authors: Guerrero María Soledad , Maldonado Miguel Ángel , Moriana Juan Antonio , Alós Francisco J.
Published: November 2020

This research explored the effect of teaching conditional discriminations with three procedures on the derivation of 36 stimuli relations (derived relations). The stimuli used consisted of three characteristics musical instruments, along with the corresponding picture. In the first experiment six university students were trained with simple stimuli and tested with compound auditory–visual samples; therefore, a one‐to‐many structure was used. In the second experiment, auditory stimuli were replaced by visual stimuli, for the samples used, for new students. A third experiment was implemented with an extra phase of training with compound stimuli for six new students. The structure of the experiments was: pretests (Xbcd–A; Xacd–B; Xabd–C; Xabc–D), training (A–B; A–C; A–D), and posttests (same as pretests). The difference between these conditions was the kind of stimuli used and a new phase of teaching used in condition 3: (Xbcd–A). The results indicate that training with simple stimuli on discriminations that include stimuli that are easy to discriminate from each other (words and sounds) is a sufficient condition for good posttest performance. However, when comparisons are made difficult (words only), participants show better performance on new tests if they have a learning history with compound stimuli.
Generality of the practical functional assessment and skill‐based treatment among individuals with autism and mental health disorders
Authors: Coffey Amanda L. , Shawler Lesley A. , Jessel Joshua , Bain Taylor , Nye Maggie , Dorsey Michael F.
Published: November 2020

A practical functional assessment format was recently developed that informed a skill‐based treatment for the problem behavior of children diagnosed with autism spectrum disorder. Since its inception there have been multiple replications of the procedures; however, the comprehensive model has rarely been applied to populations with more complex comorbid disorders and severe problem behavior such as those diagnosed with anxiety or depression. We conducted the current study to systematically replicate the entire practical functional assessment and skill‐based treatment model with two participants diagnosed with multiple mental health disorders admitted to a severe behavior outpatient unit. The practical functional assessment identified reinforcers that were provided contingent on increasingly complex forms of communication. Problem behavior remained low for both participants after reinforcement was thinned by increasing a response requirement of completing difficult tasks. Furthermore, the results were socially validated by the parents and teachers and the treatment was extended to the home setting.
Hierarchical Porous Carbon Materials Prepared by Direct Carbonization of Metal–Organic Frameworks as an Electrode Material for Supercapacitors
Authors: Hong Soonsang , Kim Younghoon , Kim Yelin , Suh Kyungwon , Yoon Minyoung , Kim Kimoon
Published: November 2020

We report the synthesis and characterization of hierarchical porous carbons (HPCs) prepared by direct carbonization of zinc‐based metal–organic frameworks (MOFs), and their electrochemical performance as an electrode material for supercapacitors. All the HPCs showed high porosity (Brunauer–Emmett–Teller (BET) surface areas 1000–1820 m2/g) with micro‐, meso‐, and macropores. The HPC‐based electrodes exhibited a high‐specific capacitance in the range of 164–203 F/g (scan rate: 10 mV/s), which suggests that these porous carbons may be useful for fabricating supercapacitors. Among the HPCs, HPC‐4 with the largest surface area as well as with ~1% nitrogen content exhibited the highest specific capacitance, which is comparable with those of other reported carbon materials. This work suggests that the hierarchical porosity and nitrogen doping in HPCs may enhance their conductivity and specific capacitance.
The effect of nationwide quarantine on anxiety levels during the COVID‐19 outbreak in China
Authors: Zhu Jing , Su Li , Zhou Yi , Qiao Juan , Hu Wei
Published: November 2020

Background

In the recent outbreak of COVID‐19, many countries have enacted various kinds of quarantine measures to slow down the explosive spread of COVID‐19. Although these measures were proven to be successful in stopping the outbreak in China, the potential adverse effects of countrywide quarantine have not been thoroughly investigated.

Methods

In this study, we performed an online survey to evaluate the psychological effects of quarantine using the Zung Self‐rating Anxiety Scale in February 2020 when the outbreak had nearly peaked in China. Along with the anxiety scores, limited personal information, such as age, gender, region, education, occupation, and specifically, the type and duration of quarantine, was collected for analysis.

Results

From a total of 992 valid questionnaires from 23 provinces in China, clinically significant anxiety symptoms were observed in 9.58% of respondents according to clinical diagnostic standards in China. The specific groups of people showing higher levels of anxiety were (a) adolescents (<18 years); (b) respondents with education lower than junior high school; (c) people with chronic diseases; and (d) frontline medical personnel. Other characteristics, such as gender, marital status, region, and acquaintance with suspected or confirmed cases of COVID‐19, did not affect anxiety levels significantly. Respondents who experienced different forms of quarantine showed different anxiety levels. People undergoing centralized quarantine have higher levels of anxiety. Unexpectedly, longer durations of quarantine did not lead to a significant increase in anxiety level.

Conclusions

Our results suggest a rather mild psychological influence caused by the countrywide quarantine during the COVID‐19 outbreak in China and provide a reference for other countries and regions battling COVID‐19.
Management of life‐threatening acute respiratory syndrome and severe pneumonia secondary to COVID‐19 in pregnancy: A case report and literature review
Authors: Yaqoub Salwa , Ahmad Shamsa , Mansouri Zaina , Pallivalapila Abdulrouf , El Kassem Wessam , Maslamani Muna , Abu Jubara Mahmoud , Minisha Fathima , Tarannum Asma , Babarinsa Isaac , Abdussalam Ahmed , Al Sayed Hamdy , Rivero Teresa , Mohammad Azad Aftab , Thomas Binny , Al Hail Moza
Published: November 2020

Evidence‐based treatment involving multidisciplinary decision making is warranted to treat COVID‐19 in pregnancy. This case presents the management of a critically ill pregnant women infected with SARS‐CoV‐2.
An unusual presentation of breast tuberculosis: A case report
Authors: Rizzo Giovanna , Colli Francesco , De Marco Paolino , La Brocca Antonella , Militello Gabriella , Gulotta Gaspare.
Published: November 2020

Primary breast tuberculosis is an uncommon disease, especially in nonendemic areas. Its presentation could mimic a cancer or an abscess, but this entity must be considered for differential diagnosis in women coming from endemic countries.
Complete ureteral stenosis after ureteroscopic lithotripsy successfully managed using a simultaneous retrograde and antegrade flexible ureteroscopic approach
Authors: Miyai Toshitaka , Kawahara Takashi , Kuroda Shinnosuke , Yasui Masato , Uemura Hiroji
Published: November 2020

Both retrograde and antegrade approach contributed to the success of a delicate endoscopic procedure. Even when guidewire did not pass thorough to the stenosis lesion, lightning and contrast reagents contributed the way through to the stenosis lesion.
Heterogeneously Catalysed Hydroamination
Authors: Sengupta Manideepa , Das Subhasis , Islam Sk. Manirul , Bordoloi Ankur
Published: November 2020

The direct addition of amines to alkynes and olefins is an elegant approach for C−N bond formation in contrast to other conventional synthetic organic methods that afford higher substituted amines; comprising essential organo‐nitrogen compounds which are the scaffolds present in important N‐heterocycles. Heterogeneous catalyzed direct amination is presented in this Review, along with the advantages, the structure‐activity relationship of applied solid acids, functionalized nanomaterials and heterogeneous single metal site catalysts that play a pivotal role towards tuning the formation of branched and linear amines.
Towards a Critical Evaluation of Electrocatalyst Stability for CO2 Electroreduction
Authors: Birdja Yuvraj Y. , Vaes Jan
Published: November 2020

The energy transition and electrification of the chemical industry necessitate electrocatalytic processes which have rapidly increased in interest over the past years. However, to have a sustainable impact on society and environment, industrial realization of the electrocatalytic processes is ultimately required. Since the stability parameter becomes more important in view of upscaling electrocatalytic processes, it is essential that researchers know about seemingly innocent procedures affecting the interpretation of faradaic efficiency and stability. We use the electrocatalytic reduction of CO2 to highlight important pitfalls and hidden ambiguities caused by improper experimental/mathematical procedures related to the calculation of faradaic efficiency, and critically discuss alternatives for a better assessment of electrocatalyst stability. The acquired insights are a first attempt to quantify and better evaluate electrocatalyst stability in order to improve comparability of experimental results and to optimize electrocatalysts or process conditions for durable performance.
WattsApp in Multiphase Systems by Gravity‐Driven Buoyancy and Settling
Authors: Weber Manfred
Published: November 2020

Power and energy balances are described for simplified gravity‐driven multiphase flows. It is emphasized that the power (→ Watts) or energy input by gravity impulse must be found back as the sum of all power or energy consumptions from the flow processes (→ Application). Examples are given for bubble columns and for batch liquid‐liquid separation processes, based on simplified assumptions regarding the flow behavior. For large‐scale apparatus, the flow characteristic of the involved phases is more complex and needs to be modeled more precisely. That is still a key challenge for scaling‐up multiphase systems. Computational fluid dynamics is an adequate instrument but needs to be further developed and enhanced for multiphase flows in large‐scale processes. And of course, any rigorous model must then be verifiable by a power balance.
Elimination of tryptamines from green coffee by supercritical CO2 extraction
Authors: Baldino Lucia , Scognamiglio Mariarosa , Reverchon Ernesto
Published: November 2020

Supercritical CO2 (SC‐CO2) extraction is commonly used to eliminate caffeine from coffee beans. In this work, the feasibility of tryptamine elimination is considered as a further objective of the process. SC‐CO2 extraction process parameters (eg, pressure, CO2 flow rate, water content) were studied to obtain tryptamine reduction, starting from those used in supercritical decaffeination. A good compromise, in terms of tryptamine residue in coffee beans, and process feasibility and selectivity, was found operating at 280 bar and 0.8 kg/h CO2, at a starting H2O content in coffee beans of 20% w/w. Using these process conditions, a tryptamine residue of 218 ppm (ppm) was measured in coffee beans after 18 hours of processing. A negligible effect on process selectivity and tryptamine yield was obtained by changing the CO2 flow rate and the initial water content. However, working at an initial water content of 30% w/w and using wet CO2 (CO2 plus 3% w/w water), a tryptamine residue of 107 ppm in coffee beans was obtained, but industrial complexity and costs increased.
Multiscale modeling of knee ligament biomechanics
Authors: Adouni Malek , Mbarki Raouf , Al Khatib Fadi , Eilaghi Armin
Published: November 2020

Knee connective tissues are mainly responsible for joint stability and play a crucial role in restraining excessive motion during regular activities. The damage mechanism of these tissues is directly linked to the microscale collagen level. However, this mechanical connection is still unclear. During this investigation, a multiscale fibril‐reinforced hyper‐elastoplastic model was developed and statistically calibrated. The model is accounting for the structural architecture of the soft tissue, starting from the tropocollagen molecule that forms fibrils to the whole soft tissue. Model predictions are in agreement with the results of experimental and numerical studies. Further, damage initiation and propagation in the collagen fiber were computed at knee ligaments and located mainly in the superficial layers. Results indicated higher crosslink density required higher tensile stress to elicit fibril damage. This approach is aligned with a realistic simulation of a damaging process and repair attempt. To the best of our knowledge, this is the first model published in which the connective tissue stiffness is simultaneously predicted by encompassing the mesoscopic scales between the molecular and macroscopic levels.
Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure
Authors: Cao Zhengwen , Xu Yun , Lyu Pengbo , Dierks Michael , Morales‐García Ángel , Schrader Wolfgang , Nachtigall Petr , Schüth Ferdi
Published: November 2020

The present study describes an interesting and practical catalytic system that allows flexible conversion of lignin into aromatic or aliphatic hydrocarbons, depending on the hydrogen partial pressure. A combination of experiment and theory shows that the product distribution between aromatics and aliphatics can be simply tuned by controlling the availability of hydrogen on the catalyst surface. Noticeably, these pathways lead to almost complete oxygen removal from lignin biomass, yielding high‐quality hydrocarbons. Thus, hydrogen–lignin co‐refining by using this catalytic system provides high flexibility in hydrogen storage/consumption towards meeting different regional and temporal demands.
Robust and simplified machine learning identification of pitfall trap‐collected ground beetles at the continental scale
Authors: Blair Jarrett , Weiser Michael D. , Kaspari Michael , Miller Matthew , Siler Cameron , Marshall Katie E.
Published: November 2020

Insect populations are changing rapidly, and monitoring these changes is essential for understanding the causes and consequences of such shifts. However, large‐scale insect identification projects are time‐consuming and expensive when done solely by human identifiers. Machine learning offers a possible solution to help collect insect data quickly and efficiently.

Here, we outline a methodology for training classification models to identify pitfall trap‐collected insects from image data and then apply the method to identify ground beetles (Carabidae). All beetles were collected by the National Ecological Observatory Network (NEON), a continental scale ecological monitoring project with sites across the United States. We describe the procedures for image collection, image data extraction, data preparation, and model training, and compare the performance of five machine learning algorithms and two classification methods (hierarchical vs. single‐level) identifying ground beetles from the species to subfamily level. All models were trained using pre‐extracted feature vectors, not raw image data. Our methodology allows for data to be extracted from multiple individuals within the same image thus enhancing time efficiency, utilizes relatively simple models that allow for direct assessment of model performance, and can be performed on relatively small datasets.

The best performing algorithm, linear discriminant analysis (LDA), reached an accuracy of 84.6% at the species level when naively identifying species, which was further increased to >95% when classifications were limited by known local species pools. Model performance was negatively correlated with taxonomic specificity, with the LDA model reaching an accuracy of ~99% at the subfamily level. When classifying carabid species not included in the training dataset at higher taxonomic levels species, the models performed significantly better than if classifications were made randomly. We also observed greater performance when classifications were made using the hierarchical classification method compared to the single‐level classification method at higher taxonomic levels.

The general methodology outlined here serves as a proof‐of‐concept for classifying pitfall trap‐collected organisms using machine learning algorithms, and the image data extraction methodology may be used for nonmachine learning uses. We propose that integration of machine learning in large‐scale identification pipelines will increase efficiency and lead to a greater flow of insect macroecological data, with the potential to be expanded for use with other noninsect taxa.
Temporal patterns of visitation of birds and mammals at mineral licks in the Peruvian Amazon
Authors: Griffiths Brian M. , Bowler Mark , Gilmore Michael P. , Luther David
Published: November 2020

Mineral licks are key ecological resources for many species of birds and mammals in Amazonia, providing essential dietary nutrients and clays, yet little is known about which species visit and their behaviors at the mineral licks. Studying visitation and behavior at mineral licks can provide insight into the lives of otherwise secretive and elusive species. We assessed which species visited mineral licks, when they visited, and whether visits and the probability of recording groups at mineral licks were seasonal or related to the lunar cycle. We camera trapped at 52 mineral licks in the northeastern Peruvian Amazon and detected 20 mammal and 13 bird species over 6,255 camera nights. Generalized linear models assessed visitation patterns and records of groups in association with seasonality and the lunar cycle. We report nocturnal curassows (Nothocrax urumutum) visiting mineral licks for the first time. We found seasonal trends in visitation for the black agouti (Dasyprocta fuliginosa), red howler monkey (Alouatta seniculus), blue‐throated piping guan (Pipile cumanensis), red brocket deer (Mazama americana), collared peccary (Pecari tajacu), and tapir (Tapirus terrestris). Lunar trends in visitation occurred for the paca (Cuniculus paca), Brazilian porcupine (Coendou prehensilis), and red brocket deer. The probability of recording groups (>1 individual) at mineral licks was seasonal and related to lunar brightness for tapir. Overall, our results provide important context for how elusive species of birds and mammals interact with these key ecological resources on a landscape scale. The ecological importance of mineral licks for these species can provide context to seasonal changes in species occupancy and movement.
Surface roughness and crystallinity of silicon solar cells irradiated by ultraviolet femtosecond laser pulses
Authors: Nigo Fumitaka , Hashida Masaki , Tsukamoto Masahiro , Sakabe Shuji , Kusaba Mitsuhiro
Published: November 2020

Nano/microfabrication experiments on the surface of silicon solar cell are performed by ultraviolet femtosecond laser in the fluence range from 0.10 to 0.70 J/cm2. The surface morphology change of sample was observed by a laser scanning microscopy and a scanning electron microscope. The crystallinity of surface irradiated by laser pulses was evaluated by Raman spectroscopy. The ablation threshold for silicon was estimated to be 0.10 J/cm2. We successfully produced nano‐structures on the surface of silicon solar cell maintaining single‐crystalline with the irradiation at the laser fluence of 0.10 J/cm2.
Techno‐economic assessment of trans‐critical CO2 booster system with modified evaporative cooling for supermarket application in Indian context
Authors: Lata Manju , Purohit Nilesh , Gupta Dileep Kumar
Published: November 2020

This paper presents the techno‐economic assessment of different selected and proposed, CO2 booster configurations for supermarket applications. The mathematical model has been developed for eight different configurations and, analyzed for year‐round operations in five selected major cities of India having different climatic conditions. The performance of the configurations is evaluated in terms of annual energy saving, seasonal energy efficiency ratio, life cycle cost, and additional investment recovery time(AIRT). Subsequently, the performance of the systems are compared with the Basic Booster System (BBS). The results show, 357.4 MWh of maximum AES, and 51.2% of enhancement in SEER, for BBS with both low and medium temperature‐flooded evaporator integrated with the modified evaporative cooler (BBSM‐LT + MT) configuration over BBS in Ahmedabad, India, compared to the selected cities in India. The economic analysis reveals that BBSM‐LT + MT configuration has minimum AIRT of 1.2 years for Ahmedabad, India compared to selected cities in India. Hence, the performance of BBSM‐LT + MT is better compared to other investigated configurations, for all the selected cities. The proposed configurations can be considered as suitable option for supermarket application in terms of energy, environment, and economy.
Catalytic ozonation of caffeine with sepiolite: Effects of impregnation with zero‐valent iron and ultrasound
Authors: Savun‐Hekimoğlu Başak , Eren Zeynep , Ince Nilsun H.
Published: November 2020

The study is about the oxidative destruction and mineralization of caffeine by catalytic ozonation using sepiolite, which is a low‐cost natural clay mineral found abundantly in Anatolia. The results showed that while ozonation alone at pH 6.0 (the natural pH of the test solution) provided 72% caffeine decay and 18% carbon mineralization during 10‐min and 60‐min reaction, respectively; catalytic ozonation with sepiolite provided 96% conversion and 30% mineralization during equivalent pH and reaction times. The activity of the catalyst was further improved by immobilization of zero‐valent iron (ZVI) on its surface to produce a nanocomposite (ZVI/SEP) with a massive surface area and a much more reactive surface. Integration of the process with high‐frequency ultrasound (US) was found to further enhance the rate of caffeine degradation and the degree of carbon mineralization via the unique properties of ultrasound for enhancing the rate of mass transfer to the catalyst surface and the generation of hydroxyl radicals (HO•) via thermal fragmentation of water molecules in the collapsing cavity bubbles. Maximum process efficiency was obtained under the following optimized conditions: pH = 6.0, O3 (aq.) = 4 mg L−1, SEP/ZVI = 1.0 g L−1, US frequency = 577 kHz, t = 5‐min and 60‐min for 100% caffeine and 57% TOC decay, respectively. The nanocomposite was also highly stable, for it was used consecutively in four cycles without significant loss in activity.
Stateof charge estimation framework for lithium‐ion batteries based on square root cubature Kalman filter under wide operation temperature range
Authors: Shen Jiangwei , Xiong Jian , Shu Xing , Li Guang , Zhang Yuanjian , Chen Zheng , Liu Yonggang
Published: November 2020

Due to the significant influence of temperature on battery charging and discharging performance, exact evaluation of state of charge (SOC) under complex temperature environment becomes increasingly important. This paper develops an advanced framework to estimate the SOC for lithium‐ion batteries with consideration of temperature variation. First, an accurate electrical model with wide temperature compensation is established, and a series of experiments are carried out under wide range time‐varying temperature from −20°C to 60°C. Then, the genetic algorithm is leveraged to identify the temperature‐dependent model parameters. On this basis, the battery SOC is accurately estimated based on the square root cubature Kalman filter algorithm. Finally, the availability of the proposed method at different temperatures is validated through a complicated mixed working cycle test, and the experimental results manifest that the devised framework can accurately evaluate SOC under wide time‐varying temperature range with the maximum error of less than 2%.
Coupling an unstructured grid three‐dimensional model with a laterally averaged two‐dimensional model for shallow water hydrodynamics and transport processes
Authors: Chen XinJian
Published: November 2020

This article presents a dynamically coupled 3D‐2DV hydrodynamic model, which combines an unstructured Cartesian grid three‐dimensional hydrodynamic model named UnLESS3D with a laterally averaged model for estuaries (LAMFE). Both UnLESS3D and LAMFE are shallow water models, which solve unsteady Reynolds‐averaged Navier–Stokes equations. The coupled hydrodynamic model, named UnLESS, is very suitable and efficient for rivers, lakes, and estuaries, which have not only large waterbodies but also long, meandering, and narrow tributaries. The dynamic coupling of UnLESS3D and LAMFE is facilitated with a semiimplicit scheme called the free‐surface correction (FSC) method. The resulting coupled model UnLESS is unconditionally stable with respect to the gravity waves, bottom shear stress, and vertical eddy viscosity terms. The UnLESS model was tested with an idealized estuary case which has a large basin and two narrow tributaries, providing freshwater flow to the basin. Model results using UnLESS were compared with those using the UnLESS3D model. It was found that the UnLESS model can reproduce the model results of UnLESS3D. The UnLESS model was also applied to Charlotte Harbor, with its major tributaries flowing to its northern part being included in the simulation domain. A good agreement of model results of water level, current, salinity, and temperature simulated by the UnLESS model with real‐time data measured in Charlotte Harbor and its tributaries suggest that the method presented here is robust in dynamically coupling the 3D unstructured Cartesian Grid model UnLESS3D with the laterally averaged model LAMFE.
Global earth mineral inventory: A data legacy
Authors: Prabhu Anirudh , Morrison Shaunna M. , Eleish Ahmed , Zhong Hao , Huang Fang , Golden Joshua J. , Perry Samuel N. , Hummer Daniel R. , Ralph Jolyon , Runyon Simone E. , Fontaine Kathleen , Krivovichev Sergey , Downs Robert T. , Hazen Robert M. , Fox Peter
Published: November 2020

Minerals contain important clues to understanding the complex geologic history of Earth and other planetary bodies. Therefore, geologists have been collecting mineral samples and compiling data about these samples for centuries. These data have been used to better understand the movement of continental plates, the oxidation of Earth's atmosphere and the water regime of ancient martian landscapes. Datasets found at ‘RRUFF.info/Evolution’ and ‘mindat.org’ have documented a wealth of mineral occurrences around the world. One of the main goals in geoinformatics has been to facilitate discovery by creating and merging datasets from various scientific fields and using statistical methods and visualization tools to inspire and test hypotheses applicable to modelling Earth's past environments. To help achieve this goal, we have compiled physical, chemical and geological properties of minerals and linked them to the above‐mentioned mineral occurrence datasets. As a part of the Deep Time Data Infrastructure, funded by the W.M. Keck Foundation, with significant support from the Deep Carbon Observatory (DCO) and the A.P. Sloan Foundation, GEMI (‘Global Earth Mineral Inventory’) was developed from the need of researchers to have all of the required mineral data visible in a single portal, connected by a robust, yet easy to understand schema. Our data legacy integrates these resources into a digestible format for exploration and analysis and has allowed researchers to gain valuable insights from mineralogical data. GEMI can be considered a network, with every node representing some feature of the datasets, for example, a node can represent geological parameters like colour, hardness or lustre. Exploring subnetworks gives the researcher a specific view of the data required for the task at hand. GEMI is accessible through the DCO Data Portal (https://dx.deepcarbon.net/11121/6200‐6954‐6634‐8243‐CC). We describe our efforts in compiling GEMI, the Data Policies for usage and sharing, and the evaluation metrics for this data legacy.