bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stochastic Simulation of Controlled Radical Polymerization Forming Dendritic Hyperbranched Polymers
Authors: Tosaka Masatoshi , Takeuchi Hinako , Kibune Masato , Tong Tianxiang , Zhu Nanyi , Yamago Shigeru 
Published: May 2023

AbstractStochastic simulation of the formation process of hyperbranched polymers (HBPs) based on the reversible deactivation radical polymerization (RDRP) using a branch‐inducing monomer, evolmer, has been carried out. The simulation program successfully reproduced the change of dispersities (Đs) during the polymerization process. Furthermore, the simulation suggested that the observed Đs (=1.5–2) are due to the distribution of the number of branches instead of undesired side reactions, and that the branch structures are well controlled. In addition, the analysis of the polymer structure reveals that the majority of HBPs have structures close to the ideal one. The simulation also suggested the slight dependence of branch density on molecular weight, which was experimentally confirmed by synthesizing HBPs with an evolmer having phenyl group.
Carrier Protein Mediated Formation of the Dihydropyridazinone Ring in Actinopyridazinone Biosynthesis
Authors: Arima Kuga , Akiyama Satoko , Shin‐ya Kazuo , Matsuda Kenichi , Wakimoto Toshiyuki 
Published: May 2023

AbstractHeterocycles with nitrogen‐nitrogen (N−N) bonds are privileged building blocks of synthetic drugs. They are also found in natural products, although the biosynthetic logic behind them is poorly understood. Actinopyridazinones produced by Streptomyces sp. MSD090630SC‐05 possess unique dihydropyridazinone rings that have been studied as core nuclei in several approved synthetic therapeutics. Herein, we performed gene knockouts and in vitro biochemical experiments to elucidate the major steps in actinopyridazinone biosynthesis, including the unprecedented carrier protein mediated machinery for dihydropyridazinone formation.
Synthesis of Polyethyleneimines from the Manganese‐Catalysed Coupling of Ethylene Glycol and Ethylenediamine
Authors: Brodie Claire N. , Owen Aniekan E. , Kolb Julian S. , Bühl Michael , Kumar Amit 
Published: May 2023

AbstractPolyethyleneimines find many applications in products such as detergents, adhesives, cosmetics, and for processes such as tissue culture, gene therapy, and CO2 capture. The current state‐of‐the‐art technology for the production of the branched polyethyleneimines involves aziridine feedstock which is a highly toxic, volatile and mutagenic chemical and raises significant concern to human health and environment. We report here a novel method for the synthesis of branched polyethyleneimine derivative from ethylene glycol and ethylenediamine which are much safer, environmentally benign, commercially available and potentially renewable feedstock. The polymerisation reaction is catalysed by a complex of an earth‐abundant metal, manganese and liberates H2O as the only by‐product. Our mechanistic studies using a combination of DFT computation and experiment suggest that the reaction proceeds by the formation and subsequent hydrogenation of imine intermediates.
A Thiazole‐linked Covalent Organic Framework for Lithium‐Sulphur Batteries
Authors: Yan Rui , Mishra Bikash , Traxler Michael , Roeser Jérôme , Chaoui Nicolas , Kumbhakar Bidhan , Schmidt Johannes , Li Shuang , Thomas Arne , Pachfule Pradip 
Published: May 2023

AbstractLithium‐sulphur (Li−S) batteries are a promising alternative power source, as they can provide a higher energy density than current lithium‐ion batteries. Porous materials are often used as cathode materials as they can act as a host for sulphur in such batteries. Recently, covalent organic frameworks (COFs) have also been used, however they typically suffer from stability issues, resulting in limited and thus insufficient durability under practical conditions and applications. Herein, we report the synthesis of a crystalline and porous imine‐linked triazine‐based dimethoxybenzo‐dithiophene functionalized COF (TTT‐DMTD) incorporating high‐density redox sites. The imine linkages were further post‐synthetically transformed to yield a robust thiazole‐linked COF (THZ‐DMTD) by utilizing a sulphur‐assisted chemical conversion method, while maintaining the crystallinity. As a synergistic effect of its high crystallinity, porosity and the presence of redox‐active moieties, the thiazole‐linked THZ‐DMTD exhibited a high capacity and long‐term stability (642 mAh g−1 at 1.0 C; 78.9 % capacity retention after 200 cycles) when applied as a cathode material in a Li−S battery.
Reinforcing effect of cross baffles on mass transfer process in raceway photobioreactors
Authors: Fu Shuangcheng , Zhang Xiang , Dou Bin , Zhou Faqi , Dai Chaolei , Ling Jie , Zhang Yue , Yan Shenghu 
Published: May 2023

AbstractAdding baffles inside raceway photobioreactors is a method to strengthen mixing. In this paper, a new type of staggered baffles are designed and compared with other structural baffles. Computational fluid dynamics was used to analyze the mixing effect of baffles with different structures in the raceway photobioreactors. The light–dark cycle of the staggered baffles was analyzed by coupling the motion trajectories of dynamical proton model particles through the change of outdoor light intensity during the day. The light–dark cycle of the cross baffle was analyzed according to the change of outdoor light intensity during the daytime coupled with the motion curve of dynamical proton model particles. The mixing ability of the staggered baffles was verified by mixing time, mass transfer coefficient, and outdoor cultivation. The results show that when the speed of the paddlewheel reached 20 rpm, compared with the raceway photobioreactors without baffles, vorticity increased by 23.3% respectively; the light–dark cycle period reduced by 18%; the mixing time reduced by 40%, and the mass transfer coefficient increased by 9.67%, the biomass of Chlorella increased by 25.3%. Compared with the other two baffle structures, the light–dark cycle period was reduced by 7.3% and 5.9%, the mixing time was reduced by 15% and 8%, and the mass transfer coefficient was increased by 1.17% and 3.59%. The biomass increased by 8.3% and 4.8%. The staggered baffles have better mass transfer performance, which can provide a reference for the optimal design of raceway photobioreactors.
Is it safe outside? Tales from a home visiting service for families during the COVID pandemic
Authors: Dangerfield Mark , Malberg Norka , Coll Elsa 
Published: May 2023

AbstractA description of a mentalization informed home‐based project, an adaptation of the ECID project (Equipo Clínico de Intervención a Domicilio), into a time‐limited first aid mental health team in response to heightened mental health needs during the COVID Pandemic in Barcelona, Spain is offered. ECID is a project with a developmental psychodynamic understanding of psychopathology and relational dynamics informing a highly flexible treatment approach. This paper describes a focus on the need for clinicians to take an active role whilst adapting to the specific needs and situation of each child and family, instead of continuing to ask them to adapt to what services can or are prepared to offer. Clinical examples are given to illustrate the value of an integrative community approach informed by both systemic and psychodynamic lenses. Specifically, we reflect on the benefits of a mentalization informed approach to working with families during high levels of psychosocial stress for both families and practitioners. We illustrate how of a mentalization informed clinical service can promote and support the development of a therapeutic alliance when internal safety is impacted by a very real external threat. Finally, preliminary data is presented regarding the impact of parental stress and trauma on children and adolescents' adaptation to a potentially traumatic situation as well as their capacity for returning to a progressive development pathway.
Fractional‐order sliding mode control for a novel magneto‐electro‐elastic microtube robot
Authors: Tofigh Mohamadali , Shah‐Mohammadi‐Azar Ali , Rezazadeh Ghader , Mahjoob Mohammad 
Published: May 2023

AbstractIn this paper, a tracking controller based on a non‐integer sliding surface is proposed for a magneto‐electro‐elastic (MEE) fluid‐conveying microtube robot. The smart/adaptive MEE material enables us to control the robot with no need for external sensors and actuators. The micro‐robot lateral motion is modeled by Euler–Bernoulli beam equations. The governing equation of the robot is derived using the constitutive equations of MEE materials and Maxwell's principle followed by Hamilton's variational method. Based on the extracted dynamic model, a novel non‐integer order sliding mode controller is introduced to suppress the microtube vibration and to provide robust path following for the robot tip. This control approach is compatible with the parameter‐varying nature of the robot dynamics. Theoretical analyses, based on Lyapunov theory, are also conducted to verify the stability of the closed‐loop system. Comparative simulations are finally performed to show the efficiency of the proposed system in comparison with the conventional micro tubes made of smart materials and with an integer order sliding mode controller (SMC). The results demonstrate that the proposed robot properly meets the performance requirements in terms of vibration suppression and trajectory tracking, even in the presence of disturbances.
Emergent control for play responses following instructive feedback for children with autism spectrum disorder
Authors: Morton Sofia M. , Campanaro Alexandra M. , Vladescu Jason C. , Sidener Tina M. , Domanski Craig 
Published: May 2023

AbstractPlay provides children learning opportunities in the natural environment to acquire communication skills. While working to establish skills that may lead to additional leisure and social opportunities of children with autism spectrum disorder (ASD), procedures need to be both effective and efficient. One way to increase efficiency of teaching is through the use of instructive feedback (IF). Therefore, the purpose of the current study is to systematically replicate and extend previous research by examining if play behaviors emerge when using IF to teach conceptually related primary (i.e., tacts) and secondary targets (i.e., play skills). The results of the present study extend previous research by demonstrating the effectiveness of teaching tacts to individuals with ASD, and that using IF during tact training can help promote the acquisition of play skills.
An empirical evaluation of the formative feedback supported by dashboard in the context of compilation error
Authors: Sanchez‐Santillan Miguel , Fernandez‐Medina Carlos , Perez‐Perez Juan R. , Paule‐Ruiz MPuerto 
Published: May 2023

AbstractFormative feedback is one of the most recognized types of feedback in academics. However, for feedback to be effective it must be task‐specific, immediate, corrective and positive. At present, automatic feedback is far from these characteristics and leaves the instructor as a fundamental agent in the teaching‐learning process of programming. Faced with this scenario, the lecturer needs support tools that help them to give formative feedback in educational scenarios with many students and little time. In this paper, we have demonstrated that, by using a tool called COLMENA, any lecturer may give students effective formative feedback which is task‐specific, immediate and corrective. COLMENA is a system that combines real‐time Eclipse IDE data retrieval on compilation errors and analytical dashboards in a webapp solution for lecturers and students. In this study, two different approaches have been compared, considering two academic courses with and without COLMENA feedback, respectively. The results indicate that novice students receiving feedback from the lecturer via COLMENA reduced their errors, demonstrating that feedback generated from compilation errors is effective.
Spatially distributed lane planning for navigation in 3D environments
Authors: Sharma Ritesh , Kallmann Marcelo 
Published: May 2023

AbstractThis article introduces the new problem of planning spatially distributed lanes for supporting multi‐agent navigation applications in 3D environments. Our proposed approach computes the max‐flow of a 3D medial axis representation of the environment in order to globally compute collision‐free lanes exploring the entire free space of the volumetric scene. Our method addresses agent clearance and path dispersion in order to provide a comprehensive solution to globally compute lanes to be used by multiple agents in 3D environments. By selecting the desired lane dispersion our approach offers an intuitive and powerful way to explore variations in the computed collections of lanes. Dispersion is addressed with a combination of new techniques based on max flow computation, clearance‐based path separation, and adaptive shortcut‐based smoothing.
Online alignment of human motion using forward plotting‐dynamic time warping
Authors: Randall Mathew , Harvey Carlo , Williams Ian 
Published: May 2023

AbstractA number of approaches to online time warping have been proposed based on plotting an alignment path backwards from a selected end‐point. When continually updating a time warp to align a time series with a live data source, such as a stream of motion capture data, the use of backwards plotting makes it hard to maintain a monotonic constraint. To solve this problem, a number of time warping approaches based on forward plotting, referred to as FP‐DTW, are proposed and evaluated by applying them to human motions. We demonstrate that forward plotting for temporal alignment is a viable solution when backwards plotting is otherwise not possible.
Synthesis and Cytotoxicity Assessment against Human Colorectal Cancer Cell Lines of Quaternary 8‐Dichloromethyl Protoberberine Alkaloids
Authors: Xu Ling‐Wen , Zhang Xue‐Qian , Yan Zheng , Li Zhi‐Hong , Deng An‐Jun , Qin Hai‐Lin 
Published: May 2023

AbstractTwenty‐two quaternary 8‐dichloromethylprotoberberine alkaloids were synthesized from unmodified quaternary protoberberine alkaloids (QPAs) to improve their physical and chemical properties and to obtain selectively anticancer derivatives. The synthesized derivatives showed more appropriate octanol/water partition coefficients by up to values 3–4 compared to unmodified QPA substrates. In addition, these compounds exhibited significant antiproliferative activity against colorectal cancer cells and lower toxicity on normal cells, resulting in more significant selectivity indices than unmodified QPA compounds in vitro. The IC50 values of antiproliferative activity of quaternary 8‐dichloromethyl‐pseudoberberine 4‐chlorobenzenesulfonate and quaternary 8‐dichloromethyl‐pseudopalmatine methanesulfonate against colorectal cancer cells are 0.31 μM and 0.41 μM, respectively, significantly stronger than those of other compounds and positive control 5‐fluorouracil. These findings suggest that 8‐dichloromethylation can be used as one of the modification strategies to guide the structural modification and subsequent investigation of anticancer drugs for CRC based on QPAs.
Effectiveness, safety, and patient reported outcomes of a planned investment procedure in higher‐risk chronic total occlusion percutaneous coronary intervention: Rationale and design of the invest‐CTO study
Authors: Øksnes Anja , Skaar Elisabeth , Engan Britt , Bleie Øyvind , Løland Kjetil H. , Taoussi Nadia , Maheran Akiko , Norekvål Tone Merete , Rotevatn Svein , McEntegart Margaret B. 
Published: May 2023

AbstractBackgroundThe anatomical complexity of a chronic total occlusion (CTO) correlates with procedural failure and complication rates. CTO modification after unsuccessful crossing has been associated with subsequent higher technical success rates, but complication rates remain high with this approach. While successful CTO percutaneous coronary intervention (PCI) has been associated with improved angina and quality of life (QOL) this has not been demonstrated in anatomically high‐risk CTOs. Whether a planned CTO modification procedure, hereafter named Investment procedure, could improve patient outcomes has never been investigated.Study DesignInvest‐CTO is a prospective, single‐arm, international, multicenter study, evaluating the effectiveness and safety of a planned investment procedure, with a subsequent completion CTO PCI (at 8–12 weeks), in anatomically high‐risk CTOs. We will enroll 200 patients with CTOs defined as high‐risk according to our Invest CTO criteria at centers in Norway and United Kingdom. Patients with aorto‐ostial lesions, occlusion within a previous stent, or a prior attempt at target vessel CTO PCI within 6 months will be excluded. The co‐primary endpoints are cumulative procedural success (%) after both procedures, and a composite safety endpoint at 30 days after completion CTO PCI. Patient reported outcomes (PROs), treatment satisfaction, and clinical endpoints will be reported.ConclusionThis study will prospectively evaluate the effectiveness and safety of a planned two staged PCI procedure in the treatment of high‐risk CTOs and may have the potential to change current clinical practice.
Localized scleroderma with pulmonary arterial hypertension and pulmonary interstitial fibrosis in a patient with positive Th/to antibodies: Case report and review of literature
Authors: Elinkichari Dorsaf , Tabka Mariem , Souissi Asmahane , Alaoui Fatimazahra , Chelly Ines , Haouet Slim , Mokni Mourad 
Published: May 2023

AbstractMorphea is an auto‐immune disease, and its association with other immune‐mediated diseases should not come as a surprise. Dermatologists should be aware of its possible coexistence with severe systemic involvement.
A severe case of rhabdomyolysis after Moderna mRNA anti‐COVID‐19 vaccine with a literature review
Authors: Sheka Maria , Coattrenec Yann , Lorenzini Kuntheavy Ing , Nendaz Mathieu 
Published: May 2023

AbstractThe identification of rhabdomyolysis as a potential fatal adverse reaction to recent COVID‐19 vaccines is essential. As the symptoms of rhabdomyolysis are not specific, the threshold to actively search for this complication should be low.
Simultaneous prosthodontic treatment for crowns of natural teeth and dental implants using digital technology: A case report
Authors: Tasaka Akinori , Sasaki Hodaka , Harada Atsuro , Ito Kosei , Kobayashi Hiro , Shimizu Takahiro , Yamashita Shuichiro 
Published: May 2023

AbstractThe aim of this clinical report was to describe the improvement of masticatory disorders with the use of digital technology to simultaneously perform prosthodontic treatment of natural teeth and edentulous areas. Computer‐guided implant surgery was performed, and crown prostheses and implant superstructures were fabricated simultaneously using digital technology.
Photothermal‐boosted polaron transport in Fe2O3 photoanodes for efficient photoelectrochemical water splitting
Authors: Hu Xiaoqin , Huang Jing , Cao Yu , He Bing , Cui Xun , Zhu Yunhai , Wang Yang , Chen Yihuang , Yang Yingkui , Li Zhen , Liu Xueqin 
Published: May 2023

AbstractIntroduction of the photothermal effect into transition‐metal oxide photoanodes has been proven to be an effective method to improve the photoelectrochemical (PEC) water‐splitting performance. However, the precise role of the photothermal effect on the PEC performance of photoanodes is still not well understood. Herein, spinel‐structured ZnFe2O4 nanoparticles are deposited on the surface of hematite (Fe2O3), and the ZnFe2O4/Fe2O3 photoanode achieves a high photocurrent density of 3.17 mA cm−2 at 1.23 V versus a reversible hydrogen electrode (VRHE) due to the photothermal effect of ZnFe2O4. Considering that the hopping of electron small polarons induced by oxygen vacancies is thermally activated, we clarify that the main reason for the enhanced PEC performance via the photothermal effect is the promoted mobility of electron small polarons that are bound to positively charged oxygen vacancies. Under the synergistic effect of oxygen vacancies and the photothermal effect, the electron conductivity and PEC performance are significantly improved, which provide fundamental insights into the impact of the photothermal effect on the PEC performance of small polaron‐type semiconductor photoanodes.
Defect engineering of ternary Cu–In–Se quantum dots for boosting photoelectrochemical hydrogen generation
Authors: Li Shi , Jung Sung‐Mok , Chung Wookjin , Seo Joo‐Won , Kim Hwapyong , Park Soo Ik , Lee Hyo Cheol , Han Ji Su , Ha Seung Beom , Kim In Young , In Su‐Il , Kim Jae‐Yup , Yang Jiwoong 
Published: May 2023

AbstractHeavy‐metal‐free ternary Cu–In–Se quantum dots (CISe QDs) are promising for solar fuel production because of their low toxicity, tunable band gap, and high light absorption coefficient. Although defects significantly affect the photophysical properties of QDs, the influence on photoelectrochemical hydrogen production is not well understood. Herein, we present the defect engineering of CISe QDs for efficient solar‐energy conversion. Lewis acid–base reactions between metal halide–oleylamine complexes and oleylammonium selenocarbamate are modulated to achieve CISe QDs with the controlled amount of Cu vacancies without changing their morphology. Among them, CISe QDs with In/Cu = 1.55 show the most outstanding photoelectrochemical hydrogen generation with excellent photocurrent density of up to 10.7 mA cm−2 (at 0.6 VRHE), attributed to the suitable electronic band structures and enhanced carrier concentrations/lifetimes of the QDs. The proposed method, which can effectively control the defects in heavy‐metal‐free ternary QDs, offers a deeper understanding of the effects of the defects and provides a practical approach to enhance photoelectrochemical hydrogen generation.
Kinetic modelling: Regression and validation stages, a compulsory tandem for kinetic model assessment
Authors: Leveneur Sébastien 
Published: May 2023

AbstractThe development of robust and reliable kinetic models is vital to build safe, eco‐friendly, and cost‐competitive chemical processes. Establishing kinetic models for complex chemical systems such as biomass valorization is cumbersome because the kinetic modeller must test different models and fit several experimental observables (or concentrations). Usually, in chemical reaction engineering, kinetic model assessment is based solely on the regression stage outputs. The implementation of a validation stage can aid in choosing the most reliable kinetic models, essentially in the case of complex chemical systems. We studied the solvolysis of 5‐hydroxymethylfurfural (5‐HMF) to butyl levulinate (BL) as a model reaction constituting several consecutive and parallel reaction steps. From an existing kinetic model, we created 60 synthetic runs in batch conditions. In the first part, we tested four different models with 5 degrees of noise, and we carried out the modelling on the 60 synthetic runs. In the second part, two types of holdout methods were evaluated. In the last part, cross‐validation, namely the k‐fold method, was used. We found that the 10‐fold method allowed more efficient selection results even when the noise level was high. Besides, k‐fold allows for not scarifying experimental runs and selecting the most reliable model.