bluuebunny/crossref_metadata_2025 huggingface dataset:
Search and learning for unsupervised text generation
Authors: Mou Lili
Published: December 2022

With the advances of deep learning techniques, text generation is attracting increasing interest in the artificial intelligence (AI) community, because of its wide applications and because it is an essential component of AI. Traditional text generation systems are trained in a supervised way, requiring massive labeled parallel corpora. In this paper, I will introduce our recent work on search and learning approaches to unsupervised text generation, where a heuristic objective function estimates the quality of a candidate sentence, and discrete search algorithms generate a sentence by maximizing the search objective. A machine learning model further learns from the search results to smooth out noise and improve efficiency. Our approach is important to the industry for building minimal viable products for a new task; it also has high social impacts for saving human annotation labor and for processing low‐resource languages. Link to video abstract: https://youtu.be/Xir1e9g6oIc
Is AI at human parity yet? A case study on speech recognition
Authors: Beaver Ian
Published: December 2022

Claims have been made that speech recognition has achieved human parity, yet this does not appear to be the case in the real‐world applications that rely on it, especially for non‐native speakers. This then begs the questions: What does it even mean for an AI system to reach human parity? How is progress towards that goal being measured? This article focuses on the current state of speech recognition and the recent developments in benchmarking and measuring performance of AI models built for speech processing. Through the shift away from single metric benchmarks and specialized models and towards evaluating collections of diverse challenging tasks and generalized models, the ultimate goal of true human parity in commercial speech processing applications is hopefully on the near horizon.
Tuning the C1/C2 Selectivity of Electrochemical CO2 Reduction on Cu–CeO2 Nanorods by Oxidation State Control
Authors: Hong Seungwon , Abbas Hafiz Ghulam , Jang Kyuseon , Patra Kshirodra Kumar , Kim Beomil , Choi Byeong‐Uk , Song Hakhyeon , Lee Kug‐Seung , Choi Pyuck‐Pa , Ringe Stefan , Oh Jihun
Published: December 2022

Ceria (CeO2) is one of the most extensively used rare earth oxides. Recently, it has been used as a support material for metal catalysts for electrochemical energy conversion. However, to date, the nature of metal/CeO2 interfaces and their impact on electrochemical processes remains unclear. Here, a Cu–CeO2 nanorod electrochemical CO2 reduction catalyst is presented. Using operando analysis and computational techniques, it is found that, on the application of a reductive electrochemical potential, Cu undergoes an abrupt change in solubility in the ceria matrix converting from less stable randomly dissolved single atomic Cu2+ ions to (Cu0,Cu1+) nanoclusters. Unlike single atomic Cu, which produces C1 products as the main product during electrochemical CO2 reduction, the coexistence of (Cu0,Cu1+) clusters lowers the energy barrier for C–C coupling and enables the selective production of C2+ hydrocarbons. As a result, the coexistence of (Cu0,Cu1+) in the clusters at the Cu–ceria interface results in a C2+ partial current density/unit Cu weight 27 times that of a corresponding Cu‐carbon catalyst under the same conditions.
Smart Deep Eutectic Electrolyte Enabling Thermally Induced Shutdown Toward High‐Safety Lithium Metal Batteries
Authors: Zhang Jinning , Wu Han , Du Xiaofan , Zhang Hao , Huang Lang , Sun Fu , Liu Tingting , Tian Songwei , Zhou Lixue , Hu Sijia , Yuan Zhixiang , Zhang Botao , Zhang Jianjun , Cui Guanglei
Published: December 2022

Severe safety concerns and uncontrollable lithium dendrites are major challenges for commercializing high‐voltage lithium metal batteries (LMBs) utilizing state‐of‐the‐art carbonate‐based electrolytes. Herein, a new type of deep eutectic electrolyte (succinonitrile/1,3,5‐trioxane/lithium difluoro(oxalato)borate (DFOB), abbreviated as DEE) with a thermally induced smart shut‐down function is presented to ameliorate the aforementioned issues. In this delicately designed DEE, 1,3,5‐trioxane (TXE) can participate in the Li+ primary solvation shell and form an unique solvation structure (Li+‐SN‐TXE‐DFOB−), which is favorable to enhance the Li/electrolyte interfacial compatibility. It is demonstrated that a 4.45 V LiCoO2/Li battery using the as‐prepared DEE electrolyte delivers a high Coulombic efficiency (99.5%), remarkable cyclability (capacity retention of 81% after 100 cycles) at 25 °C. Furthermore, thermal abuse tests of LiCoO2/Li batteries using the as‐prepared DEE display a rapid thermal shutdown function to terminate Li‐ion transportation and subsequent battery operation when they are exposed to environment temperatures exceeding 150 °C. This thermally induced shutdown function is achieved via the polymerization of TXE to polyformaldehydes possessing ultra‐low ionic conductivity at elevated temperatures. The as‐reported smart, thermally‐induced shut‐down DEE opens new avenues for designing next‐generation high‐performance LMBs with enhanced safety properties.
Layered Double Hydroxide Templated Synthesis of Amorphous NiCoFeB as a Multifunctional Electrocatalyst for Overall Water Splitting and Rechargeable Zinc–Air Batteries
Authors: Moloudi Masumeh , Noori Abolhassan , Rahmanifar Mohammad S. , Shabangoli Yasin , El‐Kady Maher F. , Mohamed Nahla B. , Kaner Richard B. , Mousavi Mir F.
Published: December 2022

Layered double hydroxides (LDHs) stand out as versatile structural platforms for modulating the electronic structure of highly reactive earth‐abundant transition metal‐based electrocatalysts for the hydrogen evolution reaction (HER), the oxygen evolution reaction (OER), and the oxygen reduction reaction (ORR). Herein, a Ni‐Co‐Fe LDH, electrodeposited on a Ni nanocones (NiNCs)‐decorated Ni foam, acts as a morphology driving template to direct the facile constant potential electrosynthesis of NiCoFeB from a K2B4O7 solution. The amorphous tri‐metal borate (TMB) displays excellent trifunctional electrocatalytic activities toward the HER (overpotential at 10 mA cm−2, η10 = 174 mV vs RHE), OER (η10 = 208 mV), as well as ORR (half‐wave potential = 0.723 V) with a low ΔEOER−ORR of 770 mV, and excellent durability of over 110 h in alkaline solutions. A zinc–air battery based on the TMB@NiNC dual oxygen catalyst cathode exhibits a high open‐circuit voltage of 1.477 V, a power density of 107 mW cm−2, a specific energy of 918 W h kgZn−1 and an outstanding cycling stability of over 1330 cycles at 10 mA cm−2, which outperforms the commercial noble metal benchmarks. These results demonstrate that LDHs are efficient sacrificial templates for the preparation of high‐performance multifunctional multi‐metal borate electrocatalysts for energy‐related applications.
Einsatz von Softwaretools am Lehrstuhl für Gebäude‐ und Raumklimatechnik der RWTH Aachen University – Serie: Gebäudesimulation und Berechnungstools in der Lehre
Authors: Streblow Rita , Müller Dirk
Published: December 2022

Diese Artikelserie stellt den Einsatz von Computerprogrammen in der Hochschullehre der Bauphysik und Gebäudetechnik für Architekten und Bauingenieure vor.

Das Ziel der nachhaltigen Bereitstellung eines gesunden Innenraumklimas bestimmen Forschung und Lehre am Lehrstuhl für Gebäude‐ und Raumklimatechnik der RWTH Aachen University. Computergestützte Analyse‐ und Simulationstechniken sind wichtige Werkzeuge, um ein energieeffizientes und umweltfreundliches Bauen, Sanieren und Betreiben von Gebäuden und Quartieren mit allen seinen komplexen Wechselwirkungen im Gesamtsystem umzusetzen. Die Studierenden werden in die Grundlagen der Modellbildung und Simulation eingeführt. Dabei deckt das Lehrangebot die Betrachtung aller Lebenszyklusphasen des Gebäudes ab. Die Kenntnisse können in Abschlussarbeiten weitergehend vertieft werden. Die entwickelten Werkzeugketten und Open‐source‐Bibliotheken des Instituts garantieren eine gute Handhabbarkeit der Softwaretools ohne zu lange Einarbeitungszeiten für die Studierenden.
Local room‐side heat transfer of an office room with different heating strategies
Authors: Peng Zhenming , Carrigan Svenja , Kornadt Oliver
Published: December 2022

The room‐side heat transfer of a building is essential for calculating and simulating heat loss through radiation and convection in interior spaces, and also for preventing mould growth and condensation. By means of Computational Fluid Dynamics (CFD) simulations, this study investigates the effect of floor heating, mixing ventilation, furniture, room geometry, and their combinations on the interior heat transfer coefficient (HTC) of a typical office room. The results show an inhomogeneous distribution of the HTC on the exterior walls. HTC values are generally below the German standardised value for thermal protection, which means an overestimation of the heat loss when the standardised value is applied. However, compared to the standardised value for preventing mould growth, the minimum surface‐averaged HTC behind closets is 63 % lower, potentially leading to mould growth and condensation.
Replacing energy simulations with surrogate models for design space exploration
Authors: Zorn Max , Catunda Natasha , Claus Luisa , Kobylinska Natalia , Frey Manuel , Wortmann Thomas
Published: December 2022

Sustainable design requires holistic decision making already in the feasibility stage. One critical aspect of a buildingś sustainability is its operational energy consumption, but energy simulations typically are too time‐consuming for early, fast‐paced design phases. Data‐based, Machine Learning models – so called surrogates – can replace time‐consuming simulations with real‐time estimates. This paper investigates the accuracy of different surrogate models for energy performance by comparing different types of models and numbers of samples. The paper also presents an integrated dashboard for holistic decision making as an application of the developed surrogate.
Mechanistic modeling, simulation, and optimization of mixed‐mode chromatography for an antibody polishing step
Authors: Hahn Tobias , Geng Nora , Petrushevska‐Seebach Katerina , Dolan Michael E. , Scheindel Marcus , Graf Pia , Takenaka Kosuke , Izumida Kyo , Li Lijuan , Ma Zijian , Schuelke Norbert
Published: December 2022

Mixed‐mode chromatography combines features of ion‐exchange chromatography and hydrophobic interaction chromatography and is increasingly used in antibody purification. As a replacement for flow‐through operations on traditional unmixed resins or as a pH‐controlled bind‐and‐elute step, the use of both interaction modes promises a better removal of product‐specific impurities. However, the combination of the functionalities makes industrial process development significantly more complex, in particular the identification of the often small elution window that delivers the desired selectivity. Mechanistic modeling has proven that even difficult separation problems can be solved in a computer‐optimized manner once the process dynamics have been modeled. The adsorption models described in the literature are also very complex, which makes model calibration difficult. In this work, we approach this problem with a newly constructed model that describes the adsorber saturation with the help of the surface coverage function of the colloidal particle adsorption model for ion‐exchange chromatography. In a case study, a model for a pH‐controlled antibody polishing step was created from six experiments. The behavior of fragments, aggregates, and host cell proteins was described with the help of offline analysis. After in silico optimization, a validation experiment confirmed an improved process performance in comparison to the historical process set point. In addition to these good results, the work also shows that the high dynamics of mixed‐mode chromatography can produce unexpected results if process parameters deviate too far from tried and tested conditions.
Can childbearing and marriage of underage girls be prevented? A study of population data in Turkey
Authors: Gümüş Burak , Özer Ömer , Doğru Ahmet Özgür , Toprak Sadık
Published: December 2022

All over the world, poor and illiterate girls living in rural areas are at higher risk of becoming underage marriage than well‐educated girls living in cities. Early marriages exacerbate inequalities between females and males in society and violate children's and women's rights. This study aimed to demonstrate temporal changes in the prevalence of child marriage and underage childbearing in Turkey by exploring the causes of regional variations in the schooling rate. Our retrospective, descriptive and register‐based study obtained input data on childbirth, marriage, population and schooling from official statistics published by the Turkish Statistical Institute (TURKSTAT) and the Republic of Turkey Ministry of National Education. Based on official statistics, underage childbearing rates decreased from 2002 to 2019 in Turkey. This study outlined significant regional variations in the ratio of childbearing female under 18 to the population that were higher in the northeastern, central eastern, and southeastern Anatolia regions of Turkey than in other regions. During the same period, there were downward trends in the number of legal marriages of female aged 16–17 and the number of underage females who gave birth in contrast with an increasing population of girls living in Turkey. In terms of welfare, education and healthcare, developments in Turkey were considered to have contributed to the downward tendency of childbearing and marriages of underage females. However, an increase in the schooling rate of girls was the critical determinant of the observed tendency. Therefore, officially setting the compulsory education age to 18 can help to prevent underage marriage and childbearing.
Membranous desquamation of the hand in a 7‐year‐old boy with mild COVID‐19
Authors: Tago Masaki , Hirata Risa
Published: December 2022

A 7‐year‐old Japanese boy was diagnosed with coronavirus disease 2019. He developed intermittent fever and headache, and the symptoms improved by Day 3. However, he developed membranous desquamation without erythema or swelling on the right hand on Day 4, which improved without treatment.
Unmasking sarcoidosis following SARS‐CoV‐2 vaccination: A case report
Authors: Mohaghegh Fatemeh , Hatami Parvaneh , Refaghat Arezoo , Matini Amir Hassan , Mohseni Afshar Zeinab , Aryanian Zeinab
Published: December 2022

Sarcoidosis is an inflammatory and granulomatous disorder, developed due to dysregulation between immune response and certain environmental antigens. We hereby report an interesting case of sarcoidosis following COVID‐19 vaccination (COVIran Barekat), which presented with inflammation of previous tattoo sites as well as the development of erythema nodosum and systemic lymphadenopathy, suggested a possible link between the COVID vaccination and dysregulation of the inflammatory process and served as a reminder for clinicians to have enough vigilance before proposing a vaccine booster to these patients.
Pneumoretroperitoneum, pneumomediastinum, and neck emphysema due to rectal diverticulosis
Authors: Kurti Floreta , Cala Viola , Vyshka Gentian
Published: December 2022

Intestinal diverticulosis is a chronic disorder that might present with acute symptoms, due to colonic perforation. Pneumoperitoneum and air bubbles spreading in different anatomical locations can be seen. These complications need careful consideration and, when appropriate, surgery, for an otherwise chronic condition that can be successfully treated through conservative measures.
New Year's silent killer in Japan: Undigested mochi
Authors: Kawanishi Koki , Ikeda Yoshifumi
Published: December 2022

Swallowed rice cake (mochi) without chewing retained in the stomach intactly. We successfully treated the hardened mochi without surgery. Eye‐catching images showed as many as 10 intact mochi in the stomach and endoscopic crushing procedure.
Harlequin ichthyosis: A case report and literature review
Authors: Shrestha Abhigan Babu , Biswas Prince , Shrestha Sajina , Riyaz Romana , Nawaz Muhammad Hassnain , Shrestha Shumneva , Hossainy Labiba
Published: December 2022

Harlequin ichthyosis is a rare autosomal recessive disorder occurring in 1: 3,000,000 birth characterized by thick keratin skin with a scaly appearance. Preterm deliveries, early, and consanguinity of marriage are some risk factors. Antenatal checkup of DNA for ABCA12 mutation helps in diagnosis but ultrasonography in places was not available.
Efficient dynamic key‐aggregate cryptosystem for secure and flexible data sharing
Authors: Pareek Gaurav , Maiti Sumana
Published: December 2022

Secure and efficient enforcement of dynamic access control policies on shared data is a central problem in dynamic and scalable application scenarios, including the Internet of Things and smart cities. Key‐aggregate cryptosystem (KAC) is an efficient mechanism to delegate decryption rights of a subset of a large collection of data items to authorized users. While KAC provides an efficient solution to the problem of secure data sharing, we identify that using it to enforce continuously changing access policies is highly inefficient. In this article, we propose a novel dynamic KAC that, in addition to satisfying all key‐aggregate efficiency requirements, enforces dynamic updates to the aggregate sets with constant computation and constant communication cost. We propose a concrete construction for our dynamic KAC, prove its soundness and formal security, and analyze its theoretical and practical performance. We implement the procedures of a dynamic hierarchical key assignment scheme using the proposed as well as the existing dynamic KACs. We compare the costs of enforcing dynamic updates in large hierarchies. We conclude that the performance enhancement achieved by the proposed dynamic KAC compared to the existing KACs is even more significant in practical access control scenarios.
Disruptive Innovations to Achieve Health Equity Through Healthcare and Research Transformation
Authors: Golden Sherita Hill
Published: December 2022

In order to achieve health equity, we must implement innovative health system, public health, and policy‐level interventions to address the historical root causes of structural and institutional racism embedded in our medical and social systems. A history of unconsented medical and research experimentation on vulnerable groups and residual healthcare provider biases toward minoritized patients has led to patient distrust of medical systems and poor quality of care. Historical discriminatory housing and lending policies resulted in racial residential segregation and neighborhoods with inadequate housing, healthy food access, and educational resources, resulting in present‐day social determinants of health (SDOH). To reduce these disparities and achieve health equity, four disruptive healthcare innovations are recommended: (i) infuse health equity principles into clinical workflows by implementing National Culturally and Linguistically Appropriate Services Standards; (ii) address poverty‐related SDOH; (iii) deliver care and recruit for research in nonclinical settings to reach marginalized communities; and (iv) leverage health system subject matter experts to advocate for health equity policies. During the COVID‐19 pandemic we leveraged the diversity of our workforce to deliver bilingual and culturally tailored COVID‐19 testing, education, and vaccines to the Hispanic and Black communities in nonclinical settings, the primary marginalized communities served by our health system that were also disproportionately impacted by COVID‐19 infections, hospitalizations, and deaths. Now that we understand the importance of using innovative health equity strategies to reach marginalized communities, we must continue to re‐engineer our healthcare systems to deliver care outside of our brick and mortar to overcome barriers in access to care and mistrust in the healthcare establishment stemming from past abuses and remaining experiences of bias.
The sustainability orientation in the wine industry: An analysis based on age as a driver
Authors: Broccardo Laura , Truant Elisa , Dana Lèo‐Paul
Published: December 2022

Few studies probe small and medium enterprises (SMEs) in the context of sustainability. Thus, this study examines the sustainability orientation in SMEs and its impact on financial performance, considering the ‘ageing effect’. It employs a sample of Italian SMEs operating in the wine sector, using a survey questionnaire to collect qualitative and quantitative data for analysis. Accordingly, although sustainability remains typically unembedded within such SMEs, when it is embedded, a positive correlation with performance is evident. Furthermore, age is a relevant variable that can explain a different sustainability orientation and its impact on financial performance. This research contributes insight into sustainability orientation in SMEs, extending the sustainability, age, and SME performance literature. Managerial implications suggest the need to better emphasise social issues and invest more in skilled human resources and training programmes.
Board gender diversity and sustainability performance: Nordic evidence
Authors: Khatri Ishwar
Published: December 2022

This study investigates the relationship between board gender diversity and sustainability performance using a sample of 205 Nordic‐listed firms across countries Denmark, Finland, Norway, and Sweden over the period 2002–2020. Drawing on gender social role theory and upper echelons theory, our results show a positive and significant association between board gender diversity and sustainability performance. Furthermore, the study extends the finding indicating that a “critical mass” of at least 30% of women on boards is required to have a significant effect on sustainability performance. The study also reveals that the association between board gender diversity and sustainability performance is more pronounced in the carbon‐intensive industry subsample. Therefore, our study, amidst inconsistent board gender diversity and firm performance studies, suggests increasing the “critical mass” of women on boards to have a positive effect on sustainability performance.
The relationship of alexithymia to pain and other symptoms in fibromyalgia: A systematic review and meta‐analysis
Authors: Habibi Asgarabad Mojtaba , Salehi Yegaei Pardis , Jafari Fatemeh , Azami‐Aghdash Saber , Lumley Mark A.
Published: December 2022

Background and Objective

People with fibromyalgia (FM) often report having difficulty with emotional identification and expression, and this “alexithymia” may contribute to their pain and other symptoms. Multiple studies have assessed alexithymia in FM, and we systematically reviewed and meta‐analyzed this literature to: (a) describe the prevalence of alexithymia in people with FM; (b) compare the level of alexithymia in FM to both healthy controls and controls with other pain conditions; and (c) determine the association of alexithymia to pain intensity, depression, and anxiety in people with FM.

Databases and Data Treatment

Following PRISMA guidelines, we searched multiple databases (Scopus, PubMed/MEDLINE, Embase, Web of Science, PsycINFO and Google Scholar) from inception to May 31, 2022. Study quality was assessed with The Joanna Briggs Institute (JBI) tools for cross‐sectional studies, and STATA:17 was used for meta‐analysis. A total of 32 studies met eligibility criteria and were included in meta‐analyses.

Results

The prevalence of alexithymia in FM averaged 48%. People with FM had substantially higher alexithymia than healthy controls (SMD = 1.00; 95% CI: 0.79 to 1.22), as well people with other pain‐related conditions (SMD = 0.35, 95% CI = 0.04 to 0.65), particularly rheumatoid arthritis (SMD = 0.49; 95% CI: 0.08–0.91). Alexithymia was positively associated with pain intensity (r = 0.24), anxiety (r = 0.50), and depression (r = 0.41) among people with FM.

Conclusions

Due to the high level of alexithymia in people with FM and the positive relationship of alexithymia with pain and psychological distress, interventions to improve emotional awareness, expression, and processing in FM are recommended.
Design and application of molecularly imprinted electrochemical sensor for the new generation antidiabetic drug saxagliptin
Authors: Elmalahany Nourhan Samy , Abdel‐Tawab Muhammed Abdel‐Hamied , Elwy Hanan M. , Fahmy Hussein M. , El Nashar Rasha M.
Published: December 2022

Saxagliptin (Saxa) belongs to a new generation of antidiabetic pharmaceutical compounds used in combination with healthy diet and exercise to lower blood glucose levels in patients with type 2 diabetes mellitus (T2DM). In this work, we report for the first time a molecularly imprinted polymer (MIP) based electrochemical sensor for the determination of Saxa. Computational calculations were performed, based on which five MIPs were synthesized using Saxa as a template, itaconic acid as a monomer, crosslinked with ethylene glycol dimethacrylate and Di methyl sulfoxide (DMSO) as a porogen with different ratios. Non‐covalent interaction (NCI) analysis has been also conducted, and the obtained isosurface analysis was used for graphical visualization of NCI that could occur in real space as well as for the discrimination between hydrogen bond interaction, Van Der Waals attraction and spatial repulsion. The optimized polymer was incorporated as a modifier for designing an electrochemical sensor comprising MIP and Multiwalled carbon nanotubes (MwCNT) within carbon paste electrode (CPE). The operational variables including incubation time, pH, scan rate, and accumulation time were optimized. The sensor showed linearity over the concentration range (1 × 10−9–1 × 10−15 M) with low limit of detection (LOD) 8 × 10−16 and 2 × 10−16 M on using DPV and EIS, respectively. The sensor was successfully applied for pharmaceutical formulations, urine, and human serum samples with recovery range between 97.45–100.64 %.
Vision‐based seismic damage detection and residual capacity assessment for an RC shaking table test structure
Authors: Ji Xiaodong , Zhuang Yuncheng , Miao Zenghui , Cheng Yuhao
Published: December 2022

In this paper, the existing postearthquake performance assessment framework for reinforced concrete (RC) building structures is improved by adding a new feature of the computer vision‐based damage detection. In this framework, visible seismic damage is classified and quantified from photographs of damaged RC components using the developed deep convolutional network (CNN) Damage‐Net of semantic segmentation, and then the mechanical property degradation factors of components determined from the detected damage states are used to update the numerical model. Pushover analysis of the updated model assesses the residual capacity of the damaged structure. Large‐scale shaking table tests of a three‐story RC building structure, which was heavily instrumented with sensors and recorded with a large volume of photographs, were used as a case study to demonstrate the improved postearthquake performance assessment framework. The vision‐based approach accurately detected multicategory seismic damage of the test structure and effectively estimated the residual crack widths and angles under various lighting, image acquisition, and surface conditions. The updated model, which incorporated the mechanical property degradation of the damaged components, provided accurate estimate on the fundamental vibrational frequencies of the damaged structure after various levels of seismic motion shaking, which matched well with the system identification results. Using the mechanical property reduction factor values recommended by FEMA 306 & Chiu et al., pushover analysis of the updated models provided residual capacity curves that reasonably captured the measured hysteretic responses of the structure. In addition, the damage states of components as estimated by the vision‐based methods were also compared with the measured plastic hinge rotation data. The successful implementation of the vision‐based assessment in this test case indicates its potential for application in the postearthquake evaluation of buildings.
Bioorthogonal Phosphines: Then and Now
Authors: Dorn Robert S. , Prescher Jennifer A.
Published: December 2022

Bioorthogonal chemistry traces its roots to a seminal report by Saxon and Bertozzi, who described a modified Staudinger reaction between organic azides and triaryl phosphines. This finding not only inspired several biological pursuits, but also launched an entire field of reaction discovery. Over the years, much effort has been directed at identifying alternative bioorthogonal transformations with organic azides; less work has focused on leveraging triaryl phosphines for new reaction development. The landscape has changed in recent years, with the generation of faster‐reacting Staudinger probes and novel classes of bioorthogonal reagents. This perspective covers newly developed phosphine‐based chemistries and their application in biological settings. We focus, in particular, on reactions with cyclopropenones and related analogs. These transformations feature unique mechanisms that are broadening the scope of bioorthogonal reactivity.
A C0 linear finite element method for a second‐order elliptic equation in non‐divergence form with Cordes coefficients
Authors: Xu Minqiang , Lin Runchang , Zou Qingsong
Published: December 2022

In this paper, we develop a gradient recovery based linear (GRBL) finite element method (FEM) and a Hessian recovery based linear FEM for second‐order elliptic equations in non‐divergence form. The elliptic equation is casted into a symmetric non‐divergence weak formulation, in which second‐order derivatives of the unknown function are involved. We use gradient and Hessian recovery operators to calculate the second‐order derivatives of linear finite element approximations. Although, thanks to low degrees of freedom of linear elements, the implementation of the proposed schemes is easy and straightforward, the performances of the methods are competitive. The unique solvability and the seminorm error estimate of the GRBL scheme are rigorously proved. Optimal error estimates in both the norm and the seminorm have been proved when the coefficient is diagonal, which have been confirmed by numerical experiments. Superconvergence in errors has also been observed. Moreover, our methods can handle computational domains with curved boundaries without loss of accuracy from approximation of boundaries. Finally, the proposed numerical methods have been successfully applied to solve fully nonlinear Monge–Ampère equations.
Changes in maternal and paternal body composition during the transition to parenthood (TRANSPARENTS)
Authors: Versele Vickà , Stas Lara , Aerenhouts Dirk , Deliens Tom , Clarys Peter , Gucciardo Leonardo , Bogaerts Annick , Devlieger Roland
Published: December 2022

Objective

The transition to parenthood might negatively influence health‐related behavior and can result in increased adiposity. The aim of this study was to investigate how body composition in mother–father dyads changes from pregnancy up to 6 months post partum.

Methods

Anthropometrics were collected from 144 nulliparous couples at 12 weeks of gestation (PG12) and 6 weeks (PP6WK) and 6 months (PP6M) post partum. A longitudinal dyadic confirmatory factor analysis model was used to analyze changes in body composition. Body composition was treated as a latent variable using BMI, body fat percentage, and waist circumference as indicators.

Results

For women, latent means increased at 6 weeks post partum (PP6WK − PG12: +1.115, SE: 0.117, p < 0.001), decreased again at 6 months post partum (PP6M − PP6WK: −0.368, SE: 0.107, p < 0.001), but remained above baseline levels (PP6M − PG12: +0.747; SE: 0.115, p < 0.001). For men, the latent means at follow‐up were higher than at baseline (PP6WK‐PG12: +0.370, SE: 0.075; PP6M‐PG12: +0.366, SE: 0.084, both p < 0.001).

Conclusions

Increases in latent means correspond to unfavorable changes in BMI, body fat percentage, and waist circumference. These changes were observed from the beginning of pregnancy up to 6 months post partum. Weight management for both women and men during pregnancy and the early postpartum period is recommended and fathers should be included in pre‐ and postnatal standard care.
Zinc hydroxystannate dripped on magnesium hydroxide flower for enhancing smoke suppression and toxicity reduction properties of epoxy resin
Authors: Guo Fan , Zhang Yuze , Li Lijuan
Published: December 2022

In order to reduce the emission of smoke and toxic gases during the combustion of epoxy resin (EP), inspired by the structure of “flowers after rain,” a novel low‐cost flame retardant (FMH@ZHS) was prepared by using flower‐like magnesium hydroxide (FMH) as the flower and zinc hydroxystannate (ZHS) as the raindrop. The tensile strength of EP/3FMH@ZHS increased by 13.7% compared with EP/3FMH. Moreover, the 3 wt% FMH@ZHS hybrid material increased the limited oxygen index value of the EP composite to 27.6% while suppressing the dripping phenomenon during combustion, achieving self‐extinguishing characteristic. Meanwhile, compared with pure EP, peak heat release rate, peak smoke production rate, total smoke production, and peak carbon monoxide production rate of EP/3FMH@ZHS decreased by 34.6%, 55.6%, 41.8%, and 50.0%, respectively. The flame retardant mechanism showed that during the combustion process, the catalytic char formation of magnesium oxide, zinc oxide, and stannic oxide generated from FMH@ZSH can promote the formation of a denser and continuous char layer, inhibiting the transport of flammable gases, toxic gases and heat and improving the fire safety of EP composites. In conclusion, this biomimetic material provided a good approach for the industrial application of EP.
Cyclic dipeptide‐based small molecules modulate zinc‐mediated liquid–liquid phase separation of tau
Authors: Ramesh Madhu , Balachandra Chenikkayala , Baruah Prayasee , Govindaraju Thimmaiah
Published: December 2022

Liquid–liquid phase separation (LLPS) is a complex physicochemical phenomenon mediated by multivalent transient weak interactions among macromolecules like polymers, proteins, and nucleic acids. It has implications in cellular physiology and disease conditions like cancer and neurodegenerative disorders. Many proteins associated with neurodegenerative disorders like RNA binding protein FUS (FUsed in Sarcoma), alpha‐synuclein (α‐Syn), TAR DNA binding protein 43 (TDP‐43), and tau are shown to undergo LLPS. Recently, the tau protein responsible for Alzheimer's disease (AD) and other tauopathies is shown to phase separate into condensates in vitro and in vivo. The diverse noncovalent interactions among the biomolecules dictate the complex LLPS phenomenon. There are limited chemical tools to modulate protein LLPS which has therapeutic potential for neurodegenerative disorders. We have rationally designed cyclic dipeptide (CDP)‐based small‐molecule modulators (SMMs) by integrating multiple chemical groups that offer diverse chemical interactions to modulate tau LLPS. Among them, compound 1c effectively inhibits and dissolves Zn‐mediated tau LLPS condensates. The SMM also inhibits tau condensate‐to‐fibril transition (tau aggregation through LLPS). This approach of designing SMMs of LLPS establishes a novel platform that has potential implication for the development of therapeutics for neurodegenerative disorders.
Alignment‐inducement property of physicochemically reconstructed EVA layer via plasma ion‐beam treatment for liquid crystal system
Authors: Lee Dong Wook , Kim Dong Hyun , Oh Jin Young , Yang Da Bin , Won Jonghoon , In Jang Jong , Jeong Hae‐Chang , Seo Dae‐Shik
Published: December 2022

Uniform and homogeneous liquid crystal (LC) alignment on a poly(ethylene‐co‐vinyl acetate) (EVA) layer subject to plasma ion‐beam (IB) treatment is confirmed. The layer molecular concentrations are controlled to 2, 4, and 6 wt%. Scanning electron microscopy exhibits a wrinkle pattern on the EVA surface that hinders LC alignment after IB treatment. However, X‐ray photoelectron spectroscopy shows chemical reconstruction on the surface; this induces strong van der Waals interactions with the LCs, which contribute to uniform LC alignment. The layer with higher molecular concentration is more heavily modified by IB treatment than that with low concentration, thereby achieving uniform LC alignment and overcoming topological disturbance. Contact angle analysis is used to verify that the surface energy increases via IB treatment; the uniform and homogeneous LC alignment is also confirmed by polarized optical microscopy and pretilt angle analysis. The EVA layer shows good optical transmittance and fine electro‐optical performances in terms of the switching and operating properties. Therefore, the plasma IB treatment is an effective method of deriving the surface characteristics of various polymeric materials for LC alignment, and the IB‐treated EVA layer has potential for application to LC systems.
Optimal confidence intervals for the relative risk and odds ratio
Authors: Wang Weizhen , Lu Shuiyun , Xie Tianfa
Published: December 2022

The relative risk and odds ratio are widely used in many fields, including biomedical research, to compare two treatments. Extensive research has been done to infer the two parameters through approximate or exact confidence intervals. However, these intervals may be liberal or conservative. A natural question is whether the intervals can be further improved in maintaining the correct confidence coefficient of an approximate interval or shortening an exact but conservative interval. In this article, when two independent binomials are observed we offer an effort to improve any of the existing intervals by applying the ‐function method. In particular, if the given interval is approximate, then the improved interval is exact; if the given interval is exact, then the improved interval is a subset of the given interval. This method is also applied multiple times to the improved intervals until the final resultant interval cannot be shortened any further. To demonstrate the effectiveness of the method, we use three real datasets to illustrate in detail how several good intervals in practice are improved. Two exact intervals are then recommended for estimating each of the two parameters in different scenarios.
The Effect of Organic Matter on Heavy Metals Removal from Simulated Wastewater using a Reverse Osmosis Membrane Process
Authors: Mohammed Hiba A. , Sachit Dawood E. , Al‐Furaiji Mustafa H.
Published: December 2022

The reverse osmosis (RO) technique is an effective method for producing potable water. It is commonly employed in water treatment facilities because of its lower cost and simplicity compared to other methods. The main challenge to the RO process is fouling, which leads to higher operating pressure, flux decline, and shortened membrane life. In this study, different simulated wastewater samples were used as feedwater to a lab‐scale RO membrane system to investigate the effect of organic matter on the removal of heavy metals. In addition, the effect of individual salts, heavy metals, and oil on scaling formation was studied. Experimental data showed that when various pollutants were added to the feedwater, the permeate flux dropped from 142.86 LMH to 45.91 LMH, and the percentages of rejection for Na+, Ca+2, Mg+2, Cu+2, Cr+3, and oil were 96.56 %, 87.5 %, 95.5 %, 100 %, 100 %, and 99.96 %, respectively. The Scanning Electron Microscope (SEM) images showed a thin fouling layer that partially covered the membrane surface where the feedwater contained only NaCl salt. In contrast, it showed a thick layer of organic fouling that entirely covered the membrane surface when the feedwater contained all the other contaminants. Moreover, the Atomic Force Microscopy (AFM) showed that when oil was added to the feedwater, numerous pores were plugged and the surface roughness of the fouled membrane was reduced to 0.91 nm. Overall, the findings showed that oil in the feedwater enhanced the removal percentages of salts and heavy metals because the removal efficiency exceeded 96 %. Furthermore, Cr+3 and oil were observed to reduce the permeate flux by 43 % and 49 %, respectively.
Operation Strategy for Avoiding Oiling‐Out During the Anti‐Solvent Crystallization Based on Ternary Phase Diagram
Authors: Amari Shuntaro , Okude Ai , Kudo Shoji , Takiyama Hiroshi
Published: December 2022

Oiling‐out occurs during the crystallization process and frequently cause deterioration of the characteristics of crystalline particles. In this study, operation strategies to avoid the oiling‐out in the anti‐solvent crystallization are investigated based on the ternary phase diagram. It is found that oiling‐out could be avoided by designing the trajectory of the operation point on the ternary phase diagram during the anti‐solvent crystallization. Additionally, the characteristics of crystalline particles is improved by avoiding the oiling‐out, which enables to obtain crystalline particles with high purity. The results show that the development of the operation method based on the ternary phase diagram is an effective strategy for avoiding the oiling‐out and producing the crystalline particles with favorable characteristics.
Integration of an Electron Transport Layer and a p‐n Heterojunction in a ZnO photoanode for Photoelectrochemical Water Oxidation
Authors: Ren Xiaofei , Zeng Xuyang , Wang Yanqiu , Liu Xuzhao , Li Ang , Xing Xiu‐Shuang , Du Jimin
Published: December 2022

Zinc oxide (ZnO) has received extensive attention in the field of photoelectrochemical water splitting (PEC‐WS). However, ZnO has a narrow absorption range for visible light, easy recombination of photogenerated electrons and holes, and slow kinetics of surface water oxidation, limiting its further practical application. In this work, a FTO/TiO2/ZnO/NiO photoanode with a micro‐nano structure is built with ZnO as nanosheet clusters, TiO2 as the electron transport layer, and NiO for forming p‐n heterojunction between NiO and ZnO. This photoanode exhibits a photocurrent density of 1.91 mA/cm2 at 1.23 VRHE, which is three times that of the pure ZnO photoanode (0.65 mA/cm2). The detailed mechanism investigations demonstrate that the introduced TiO2 can reduce the interface defects between ZnO and FTO, and Ti doping to ZnO improves the conductivity, which simultaneously reduces the bottom surface and bulk charge recombination. The constructed p‐n heterojunction further significantly increases the carrier transfer efficiency.
Ultrafine Core‐Shell Nanostructured Iron Cobalt Ferrocyanide with Excellent Electrocatalytic Activity toward Overall Water Splitting
Authors: Gayathri Arunagiri , Mathi Selvam , Vijayarangan Murugan , Jayabharathi Jayaraman , Thanikachalam Venukopal
Published: December 2022

The development and production of non‐noble metal electrocatalysts with exceptional activity and stability for water electrolysis was essential for energy conversion and storage. An optimized working electrode of core‐shell nanosphere Fe2Co8HCF on nickel foam exhibits a small overpotential of 241 mV (63 mV/dec) for OER and 158 mV (92 mV/dec) for HER at 10 mA/cm2 (without iR correction) in 1.0 M KOH. Fe2Co8HCF shows ultra‐stability (150 h) with loss of 2.9 % and 3.1 % for OER and HER, respectively. The interaction between Fe, Co and HCF that resulted in the formation of core‐shell nanostructure was highly beneficial for reaction kinetics. The active bifunctional Fe2Co8HCF/NF electrode pair aids in the development of a water electrolyzer that provides 10 mA/cm2 at 1.63 V. The Fe2Co8HCF/NF//Fe2Co8HCF/NF displays great durability (over 150 h) with loss of 4.2 %. The solar‐driven water electrolysis at 1.63 V demonstrates the enhanced efficiency of an optimized electrocatalyst. These results imply that Fe2Co8HCF/NF//Fe2Co8HCF/NF can be utilized to generate a huge amount of hydrogen at low cost.
Synthesis, Crystal Structure, Hirshfeld Surface and Docking Studies of 2‐(methacryloyloxy)ethyl‐6‐amino‐5‐cyano‐2‐methyl‐4‐(thiophen‐2‐yl)‐4H‐pyran‐3‐carboxylate
Authors: Kathavarayan Arulvani , Ramasamy Venkateswaramoorthi , Rajamanickam Ramachandran , Subramaniyan Gunavathi
Published: December 2022

Crystalline organic compound,2‐(methacryloyloxy)ethyl‐6‐amino‐5‐cyano‐2‐methyl‐4‐(thiophen‐2‐yl)‐4H‐pyran‐3‐carboxylate (ACMP) was synthesized by one‐pot three components reaction. The title compound is characterized by spectral techniques and single‐crystal XRD. 2D and 3D Hirshfeld surface analysies were studied to understand the intermolecular contacts. The study revealed that H…H, O−H…N, and N−H…O are the most significant contributor towards crystal packing with a percentage contribution of 45.1, 13.2 and 16.8 %, respectively. Further, to get more insight into the electronic properties of the molecular structure of ACMP compound, chemical stability and reactivity have been well explored by the frontier molecular orbital (FMO) approach. Despite, the molecular docking study was employed to predict the binding affinity between the ACMP and COVID‐19 Mpro and spike protease. The analysis showed that the several interactions including H‐bond, pi‐alkyl and pi‐pi interactions with the active sites of amino acid residues of 6LU7 and 2AJF.
Research Progresses of Liquid Electrolytes in Lithium‐Ion Batteries
Authors: Liu Yu‐Kun , Zhao Chen‐Zi , Du Juan , Zhang Xue‐Qiang , Chen Ai‐Bing , Zhang Qiang
Published: December 2022

In recent years, the rapid development of modern society is calling for advanced energy storage to meet the growing demands of energy supply and generation. As one of the most promising energy storage systems, secondary batteries are attracting much attention. The electrolyte is an important part of the secondary battery, and its composition is closely related to the electrochemical performance of the secondary batteries. Lithium‐ion battery electrolyte is mainly composed of solvents, additives, and lithium salts, which are prepared according to specific proportions under certain conditions and according to the needs of characteristics. This review analyzes the advantages and current problems of the liquid electrolytes in lithium‐ion batteries (LIBs) from the mechanism of action and failure mechanism, summarizes the research progress of solvents, lithium salts, and additives, analyzes the future trends and requirements of lithium‐ion battery electrolytes, and points out the emerging opportunities in advanced lithium‐ion battery electrolytes development.
Hydrogen Storage in Partially Exfoliated Magnesium Diboride Multilayers
Authors: Gunda Harini , Ray Keith G. , Klebanoff Leonard E. , Dun Chaochao , Marple Maxwell A. T. , Li Sichi , Sharma Peter , Friddle Raymond W. , Sugar Joshua D. , Snider Jonathan L. , Horton Robert D. , Davis Brendan C. , Chames Jeffery M. , Liu Yi‐Sheng , Guo Jinghua , Mason Harris E. , Urban Jeffrey J. , Wood Brandon C. , Allendorf Mark D. , Jasuja Kabeer , Stavila Vitalie
Published: December 2022

Metal boride nanostructures have shown significant promise for hydrogen storage applications. However, the synthesis of nanoscale metal boride particles is challenging because of their high surface energy, strong inter‐ and intraplanar bonding, and difficult‐to‐control surface termination. Here, it is demonstrated that mechanochemical exfoliation of magnesium diboride in zirconia produces 3–4 nm ultrathin MgB2 nanosheets (multilayers) in high yield. High‐pressure hydrogenation of these multilayers at 70 MPa and 330 °C followed by dehydrogenation at 390 °C reveals a hydrogen capacity of 5.1 wt%, which is ≈50 times larger than the capacity of bulk MgB2 under the same conditions. This enhancement is attributed to the creation of defective sites by ball‐milling and incomplete Mg surface coverage in MgB2 multilayers, which disrupts the stable boron–boron ring structure. The density functional theory calculations indicate that the balance of Mg on the MgB2 nanosheet surface changes as the material hydrogenates, as it is energetically favorable to trade a small number of Mg vacancies in Mg(BH4)2 for greater Mg coverage on the MgB2 surface. The exfoliation and creation of ultrathin layers is a promising new direction for 2D metal boride/borohydride research with the potential to achieve high‐capacity reversible hydrogen storage at more moderate pressures and temperatures.