bluuebunny/crossref_metadata_2025 huggingface dataset:
Transposed-word effects in speeded grammatical decisions to sequences of spoken words
Authors: Dufour Sophie , Mirault Jonathan , Grainger Jonathan
Published: December 2022

We used the grammatical decision task (a speeded version of the grammaticality judgment task) with auditorily presented sequences of five words that could either form a grammatically correct sentence or an ungrammatical sequence. The critical ungrammatical sequences were either formed by transposing two adjacent words in a correct sentence (transposed-word sequences: e.g., “The black was dog big”) or were matched ungrammatical sequences that could not be resolved into a correct sentence by transposing any two words (control sequences: e.g., “The black was dog slowly”). These were intermixed with an equal number of correct sentences for the purpose of the grammatical decision task. Transposed-word sequences were harder to reject as being ungrammatical (longer response times and more errors) relative to the ungrammatical control sequences, hence attesting for the first time that transposed-word effects can be observed in the spoken language version of the grammatical decision task. Given the relatively unambiguous nature of the speech input in terms of word order, we interpret these transposed-word effects as reflecting the constraints imposed by syntax when processing a sequence of spoken words in order to make a speeded grammatical decision.
High-speed metamagnetic switching of FeRh through Joule heating
Authors: Blumenschein Nicholas A. , Stephen Gregory M. , Cress Cory D. , LaGasse Samuel W. , Hanbicki Aubrey T. , Bennett Steven P. , Friedman Adam L.
Published: December 2022

Due to its proximity to room temperature and demonstrated high degree of temperature tunability, FeRh’s metamagnetic ordering transition is attractive for novel high-performance computing devices seeking to use magnetism as the state variable. We demonstrate electrical control of the antiferromagnetic-to-ferromagnetic transition via Joule heating in FeRh wires. The magnetic transition of FeRh is accompanied by a change in resistivity, which can be probed electrically and allows for integration into switching devices. Finite element simulations based on abrupt state transition within each domain result in a globally smooth transition that agrees with the experimental findings and provides insight into the thermodynamics involved. We measure a 150 K decrease in transition temperature with currents up to 60 mA, limited only by the dimensions of the device. The sizeable shift in transition temperature scales with current density and wire length, suggesting the absolute resistance and heat dissipation of the substrate are also important. The FeRh phase change is evaluated by pulsed I-V using a variety of bias conditions. We demonstrate high speed (~ ns) memristor-like behavior and report device performance parameters such as switching speed and power consumption that compare favorably with state-of-the-art phase change memristive technologies.
A preliminary study of further attempt at the development, testing and application of an independent primary screening stool card
Authors: Cai Huimin , Chen Hongliang , Gao Yang , Huang Qianqian , Lv Chengqian , Cang Xueyu , Qi Jihan , Luo Kunpeng , Jin Shizhu
Published: December 2022

Stool characteristics are of great value to assess diseases, but patients knew little. E-learning applied in health popularization and patient education is booming. In China, WeChat applets has advantages of abundant users, convenient access and low cost, which may be a great media in patient education on stool. This preliminary study aims to develop and evaluate a stool card WeChat applet. We collected stools images during 2020 to 2022 in the Department of Gastroenterology and Hepatology in the Second Affiliated Hospital of Harbin Medical University, constructed a stool card applet named the Doctor Friend Primary Screening Stool Card (DFPSSC) and evaluated it. Eligible participants were divided into the applet, traditional paper media and control group. We implement a series of tests to evaluate the effectiveness. 20 clinicians and participants using the DFPSSC completed a questionnaire to evaluate the usability. We developed the DFPSSC for an E-learning approach. Of 108 volunteers, 97 completed the DFPSSC learning. No significant pretest differences were found among the three groups (P = 0.303). Applet group had significantly higher posttest scores than pretest scores in intervention (P < 0.001, d = 1.68) and simulation (P = 0.006) test, and it had higher scores than other two group (P < 0.001). 63% participants and 59% clinicians strongly agree or agree to the usability of DFSSC. This preliminary study verified that the DFPSSC can effectively improve participants’ knowledge of feces, making it an effective clinical tool for patient education and the avoidance of treatment delay.
Three mitochondrial lineages and no Atlantic-Mediterranean barrier for the bogue Boops boops across its widespread distribution
Authors: Cunha Regina L. , Faleh Abderraouf Ben , Francisco Sara , Šanda Radek , Vukić Jasna , Corona Luana , Dia Mamadou , Glavičić Igor , Kassar Abderrahmane , Castilho Rita , Robalo Joana I.
Published: December 2022

Marine species exhibiting wide distributional ranges are frequently subdivided into discrete genetic units over limited spatial scales. This is often due to specific life-history traits or oceanographic barriers that prevent gene flow. Fine-scale sampling studies revealed distinct phylogeographic patterns in the northeastern Atlantic and the Mediterranean, ranging from panmixia to noticeable population genetic structure. Here, we used mitochondrial sequence data to analyse connectivity in the bogue Boops boops throughout most of its widespread distribution. Our results identified the existence of three clades, one comprising specimens from the Azores and eastern Atlantic/Mediterranean, another with individuals from the Canary Islands, Madeira and Cape Verde archipelagos, and the third with samples from Mauritania only. One of the branches of the northern subtropical gyre (Azores Current) that drifts towards the Gulf of Cádiz promotes a closer connection between the Azores, southern Portugal and the Mediterranean B. boops populations. The Almería-Oran Front, widely recognised as an oceanographic barrier for many organisms to cross the Atlantic-Mediterranean divide, does not seem to affect the dispersal of this benthopelagic species. The southward movement of the Cape Verde Frontal Zone during the winter, combined with the relatively short duration of the pelagic larval stage of B. boops, may be potential factors for preventing the connectivity between the Atlantic oceanic archipelagos and Mauritania shaping the genetic signature of this species.
Molecular signatures in the progression of COVID-19 severity
Authors: De Ronika , Azad Rajeev K.
Published: December 2022

SARS-CoV-2 is the causative agent of COVID-19 that has infected over 642 million and killed over 6.6 million people around the globe. Underlying a wide range of clinical manifestations of this disease, from moderate to extremely severe systemic conditions, could be genes or pathways differentially expressing in the hosts. It is therefore important to gain insights into pathways involved in COVID-19 pathogenesis and host defense and thus understand the host response to this pathogen at the physiological and molecular level. To uncover genes and pathways involved in the differential clinical manifestations of this disease, we developed a novel gene co-expression network based pipeline that uses gene expression obtained from different SARS-CoV-2 infected human tissues. We leveraged the network to identify novel genes or pathways that likely differentially express and could be physiologically significant in the COVID-19 pathogenesis and progression but were deemed statistically non-significant and therefore not further investigated in the original studies. Our network-based approach aided in the identification of co-expression modules enriched in differentially expressing genes (DEGs) during different stages of COVID-19 and enabled discovery of novel genes involved in the COVID-19 pathogenesis, by virtue of their transcript abundance and association with genes expressing differentially in modules enriched in DEGs. We further prioritized by considering only those enriched gene modules that have most of their genes differentially expressed, inferred by the original studies or this study, and document here 7 novel genes potentially involved in moderate, 2 in severe, 48 in extremely severe COVID-19, and 96 novel genes involved in the progression of COVID-19 from severe to extremely severe conditions. Our study shines a new light on genes and their networks (modules) that drive the progression of COVID-19 from moderate to extremely severe condition. These findings could aid development of new therapeutics to combat COVID-19.
Cooling potential for hot climates by utilizing thermal management of compressed air energy storage systems
Authors: Alami Abdul Hai , Orhan Mehmet , Al Rashid Rashid , Yasin Ahmad , Radwan Ali , Ayoub Mohamad , Abdelkareem Mohammad Ali , Alashkar Adnan
Published: December 2022

This work presents findings on utilizing the expansion stage of compressed air energy storage systems for air conditioning purposes. The proposed setup is an ancillary installation to an existing compressed air energy storage setup and is used to produce chilled water at temperatures as low as 5 °C. An experimental setup for the ancillary system has been built with appropriate telemetric devices to measure the temporal temperature variation, which consequently can be used to calculate the heat transfer and available cooling capacity. The system is compared to commercially available compression cooling air conditioners, and the potential of replacing them is promising, as one ton of conventional cooling can be replaced with a 500-L (0.5 m3) air tank at 20 bar operating for an hour. More tanks can be added to extend the operational viability of the system, which is also serving the original purpose of storing energy from grid excess or from solar photovoltaic panels. The thermal management has had the added benefit of increasing the roundtrip efficiency of the storage system from 31.4 to 35.2%, along with handling a portion of the cooling load.
Shoulder stretching versus shoulder muscle strength training for the prevention of baseball-related arm injuries: a randomized, active-controlled, open-label, non-inferiority study
Authors: Shitara Hitoshi , Tajika Tsuyoshi , Kuboi Takuro , Ichinose Tsuyoshi , Sasaki Tsuyoshi , Hamano Noritaka , Kamiyama Masataka , Yamamoto Atsushi , Kobayashi Tsutomu , Takagishi Kenji , Chikuda Hirotaka
Published: December 2022

Glenohumeral internal rotation deficit (GIRD) and weakness in prone external rotation are risk factors for shoulder and elbow injuries in high school baseball pitchers. While a shoulder-stretching prevention program to improve GIRD decreases the injury rate, the effects of external rotation strength remain unclear. This non-inferiority (NI) study investigates the hypothesis that external rotation strength training is not inferior to sleeper stretching for shoulder and elbow injury prevention in high school baseball pitchers. Participants were randomly allocated to the stretching (n = 62; active control group) and muscle-training (n = 51) groups. Specific exercises were performed each night. Elbow and shoulder injuries were monitored for 150 days. Kaplan–Meier survival curves were generated, and the hazard ratios (HRs) for injury occurrence were calculated using multivariate Cox regression. The log-rank test was used to compare the injury-free time. A one-sided NI test using a fixed NI margin was performed (significance level, P = 0.025). The injury rates were 22.6% (n = 14) in the stretching group and 9.8% (n = 5) in the muscle-training group. The muscle-training group had a lower injury rate (P < 0.001) and a lower risk of injury than the stretching group (HR = 0.489). Therefore, external rotation muscle strength training is not inferior to stretching for preventing baseball-related arm injuries.
The deubiquitinase USP10 protects pancreatic cancer cells from endoplasmic reticulum stress
Authors: Bhattacharya Udayan , Thavathiru Elangovan , Neizer-Ashun Fiifi , Xu Chao , Gatalica Zoran , Dwivedi Shailendra Kumar Dhar , Dey Anindya , Mukherjee Priyabrata , Bhattacharya Resham
Published: December 2022

The ubiquitin-specific peptidase 10 (USP10) plays a context-specific, pro or anti-tumorigenic role in different malignancies. However, the role of USP10 in pancreatic cancer remains unclear. Our protein and RNA level analysis from archived specimens and public databases show that USP10 is overexpressed in pancreatic ductal adenocarcinoma (PDAC) and expression correlates with poor overall patient survival. Phenotypically, silencing USP10 decreased viability, clonal growth and invasive properties of pancreatic cancer cells. Mechanistically, silencing USP10 upregulated BiP and induced endoplasmic reticulum (ER) stress that led to an unfolded protein response (UPR) and upregulation of PERK, IRE1α. Decreased cell viability of USP10 silenced cells could be rescued by a chemical chaperone that promotes protein folding. Our studies suggest that USP10 by protecting pancreatic cancer cells from ER stress may support tumor progression.
Palau’s warmest reefs harbor thermally tolerant corals that thrive across different habitats
Authors: Rivera Hanny E. , Cohen Anne L. , Thompson Janelle R. , Baums Iliana B. , Fox Michael D. , Meyer-Kaiser Kirstin S.
Published: December 2022

Ocean warming is killing corals, but heat-tolerant populations exist; if protected, they could replenish affected reefs naturally or through restoration. Palau’s Rock Islands experience consistently higher temperatures and extreme heatwaves, yet their diverse coral communities bleach less than those on Palau’s cooler outer reefs. Here, we combined genetic analyses, bleaching histories and growth rates ofPoritescf.lobatacolonies to identify thermally tolerant genotypes, map their distribution, and investigate potential growth trade-offs. We identified four genetic lineages ofP. cf.lobata. On Palau’s outer reefs, a thermally sensitive lineage dominates. The Rock Islands harbor two lineages with enhanced thermal tolerance; one of which shows no consistent growth trade-off and also occurs on several outer reefs. This suggests that the Rock Islands provide naturally tolerant larvae to neighboring areas. Finding and protecting such sources of thermally-tolerant corals is key to reef survival under 21stcentury climate change.
A new confuciusornithid bird with a secondary epiphyseal ossification reveals phylogenetic changes in confuciusornithid flight mode
Authors: Wang Renfei , Hu Dongyu , Zhang Meisheng , Wang Shiying , Zhao Qi , Sullivan Corwin , Xu Xing
Published: December 2022

The confuciusornithids are the earliest known beaked birds, and constitute the only species-rich clade of Early Cretaceous pygostylian birds that existed prior to the cladogenesis of Ornithothoraces. Here, we report a new confuciusornithid species from the Lower Cretaceous of western Liaoning, northeastern China. Compared to other confuciusornithids, this new species and the recently reported Yangavis confucii both show evidence of stronger flight capability, although the wings of the two taxa differ from one another in many respects. Our aerodynamic analyses under phylogeny indicate that varying modes of flight adaptation emerged across the diversity of confuciusornithids, and to a lesser degree over the course of their ontogeny, and specifically suggest that both a trend towards improved flight capability and a change in flight strategy occurred in confuciusornithid evolution. The new confuciusornithid differs most saliently from other Mesozoic birds in having an extra cushion-like bone in the first digit of the wing, a highly unusual feature that may have helped to meet the functional demands of flight at a stage when skeletal growth was still incomplete. The new find strikingly exemplifies the morphological, developmental and functional diversity of the first beaked birds.
Recurrent RNA edits in human preimplantation potentially enhance maternal mRNA clearance
Authors: Ding Yang , Zheng Yang , Wang Junting , Li Hao , Zhao Chenghui , Tao Huan , Li Yaru , Xu Kang , Huang Xin , Gao Ge , Chen Hebing , Bo Xiaochen
Published: December 2022

Posttranscriptional modification plays an important role in key embryonic processes. Adenosine-to-inosine RNA editing, a common example of such modifications, is widespread in human adult tissues and has various functional impacts and clinical consequences. However, whether it persists in a consistent pattern in most human embryos, and whether it supports embryonic development, are poorly understood. To address this problem, we compiled the largest human embryonic editome from 2,071 transcriptomes and identified thousands of recurrent embryonic edits (>=50% chances of occurring in a given stage) for each early developmental stage. We found that these recurrent edits prefer exons consistently across stages, tend to target genes related to DNA replication, and undergo organized loss in abnormal embryos and embryos from elder mothers. In particular, these recurrent edits are likely to enhance maternal mRNA clearance, a possible mechanism of which could be introducing more microRNA binding sites to the 3’-untranslated regions of clearance targets. This study suggests a potentially important, if not indispensable, role of RNA editing in key human embryonic processes such as maternal mRNA clearance; the identified editome can aid further investigations.
Potent high-avidity neutralizing antibodies and T cell responses after COVID-19 vaccination in individuals with B cell lymphoma and multiple myeloma
Authors: Keppler-Hafkemeyer Andrea , Greil Christine , Wratil Paul R. , Shoumariyeh Khalid , Stern Marcel , Hafkemeyer Annika , Ashok Driti , Hollaus Alexandra , Lupoli Gaia , Priller Alina , Bischof Marie L. , Ihorst Gabriele , Engelhardt Monika , Marks Reinhard , Finke Jürgen , Bertrand Hannah , Dächert Christopher , Muenchhoff Maximilian , Badell Irina , Emmerich Florian , Halder Hridi , Spaeth Patricia M. , Knolle Percy A. , Protzer Ulrike , von Bergwelt-Baildon Michael , Duyster Justus , Hartmann Tanja N. , Moosmann Andreas , Keppler Oliver T.
Published: December 2022

Individuals with hematologic malignancies are at increased risk for severe coronavirus disease 2019 (COVID-19), yet profound analyses of COVID-19 vaccine-induced immunity are scarce. Here we present an observational study with expanded methodological analysis of a longitudinal, primarily BNT162b2 mRNA-vaccinated cohort of 60 infection-naive individuals with B cell lymphomas and multiple myeloma. We show that many of these individuals, despite markedly lower anti-spike IgG titers, rapidly develop potent infection neutralization capacities against several severe acute respiratory syndrome coronavirus 2 variants of concern (VoCs). The observed increased neutralization capacity per anti-spike antibody unit was paralleled by an early step increase in antibody avidity between the second and third vaccination. All individuals with hematologic malignancies, including those depleted of B cells and individuals with multiple myeloma, exhibited a robust T cell response to peptides derived from the spike protein of VoCs Delta and Omicron (BA.1). Consistently, breakthrough infections were mainly of mild to moderate severity. We conclude that COVID-19 vaccination can induce broad antiviral immunity including ultrapotent neutralizing antibodies with high avidity in different hematologic malignancies.
Convective Heat Transfer Using Nanofluids
Authors: Buschmann M. H.
Published: December 2022

Convective heat transfer has been proven to offer vast potential to increase the efficient use of energy in various processes in both industry and everyday life. However, standard methods for improving convective heat transfer appear to have reached their limits. The application of classical nanofluids and ferronanofluids is a new strategy to overcome these limits. This chapter provides an overview of the state of the art regarding experimental investigations of convective heat transfer employing such suspensions. As discussed in the literature, and also revealed by experiments, there are no anomalous effects. Further detailed investigations need to be conducted to develop nanofluids and ferronanofluids as robust heat transfer fluids for use in industrial applications. The focus should be on the development of nanofluids with a strong increase in thermal conductivity but only slightly increased viscosity.
Applications of Nanofluids in Solar Thermal Systems
Authors: Khanafer K. , Assad M. E. H. , Vafai K.
Published: December 2022

This chapter provides in-depth information on the use of nanofluids for various solar thermal systems, of which flat plate collectors, solar stills, photovoltaic thermal systems, and parabolic trough solar collectors are examples. The first portion of this chapter offers the most up-to-date overview of correlations discovered in the literature for nanofluid thermal parameters such as density, specific heat, viscosity, thermal expansion coefficient, and thermal conductivity. The second segment concentrates on the usage of nanofluids in various energy systems. This chapter also examines and discusses energy and exergy analysis. Using energy and exergy analysis, the performance of flat plate solar collectors using nanofluids is shown. This chapter compares works in the literature based on energy and exergy efficiency, as well as the nanofluid utilized in the collector, which is also studied and discussed. According to the available literature, adding nanoparticles to the base fluid improves the performance of the collector in terms of energy and exergy efficiency. This chapter thus serves as a reference for researchers working in the field of solar energy to improve the thermal performance of solar thermal systems.
Students’ Attention on Curved Arrows While Evaluating the Plausibility of an Organic Mechanistic Step
Authors: Weinrich Melissa , Britt Ryan
Published: December 2022

Reaction mechanisms and electron pushing formalism are central to organic chemistry, but students often struggle understanding the meanings underlying these tools. Since mechanisms are hypotheses for how reactions occur, evaluating the plausibility of mechanisms is important in understanding how reactions happen and predicting outcomes of these reactions. This mixed method study with 20 organic chemistry students used eye tracking, followed by think-aloud interviews, to uncover how students utilized representations when evaluating the plausibility of a proposed mechanistic step. The interviews were qualitatively coded for students' use of terminology, explicit and implicit features, and their chaining strategy. The eye tracking data was analyzed using Spearman correlations to compare the proportion of time students viewed curved arrows and their success to the terminology, features, and chaining strategy they used. The proportion of time students spent viewing curved arrows correlated with students' use of generalized terminology and some implicit features, but not students' reasoning nor their success. Additionally, student success correlated with use of generalized terminology and discussion of implicit features. Implications for teaching and research as well as limitations are discussed.
Fostering Causal Mechanistic Reasoning as a Means of Modelling in Organic Chemistry
Authors: Crandell Olivia M. , Cooper Melanie M.
Published: December 2022

Numerous Chemistry Education Research studies have characterized students' understanding of organic chemistry mechanisms as disparate collections of memorized patterns of surface features rather than useful explanatory and predictive models of structure–property relationships. This chapter synthesizes our research leveraging causal mechanistic reasoning to engage students in scientific modelling about reaction mechanisms. We unpack our definition of causal mechanistic reasoning, discuss evidence-based strategies to engage students in causal mechanistic reasoning and modelling, and review findings from two longitudinal studies measuring students' engagement in these practices overtime in different curriculum contexts. We conclude by identifying pedagogical strategies to integrate causal mechanistic reasoning and modelling practices into chemistry courses.
Students’ Reasoning in Chemistry Arguments and Designing Resources Using Constructive Alignment
Authors: Deng Jacky M. , Carle Myriam S. , Flynn Alison B.
Published: December 2022

In a world facing complex global issues, citizens need to be able to make and justify decisions, an important aspect of scientific argumentation skills. Building from previous work in chemistry education and philosophy of science, we have developed an argumentation framework focused on reasoning, granularity, and comparisons, and we have used this framework to characterize students' arguments in organic chemistry. We found that students' arguments appropriately varied between tasks and contexts, including the reasoning, granularity, and comparisons within those arguments. We propose using constructive alignment, where outcomes for students are determined before instruction and used to guide teaching and assessment, as a potential tool for educators to support students' argumentation in chemistry.
From Free Association to Goal-directed Problem-solving—Network Analysis of Students’ Use of Chemical Concepts in Mechanistic Reasoning
Authors: Asmussen Gyde , Rodemer Marc , Eckhard Julia , Bernholt Sascha
Published: December 2022

Reaction mechanisms are known to be a great challenge for students enrolled in organic chemistry courses. Students often have difficulties in both understanding the representation and inferring the appropriate chemical concepts. By means of cognitive task analysis, undergraduate students' verbal explanations to a series of case comparisons on nucleophilic substitution reactions were analyzed to infer which chemical concepts were used and how different concepts were related in students' argumentation. These categorized concepts were transformed into weighted networks to capture the prevalence and centrality of individual concepts across students and tasks. Comparing these student networks to sample solutions provided insights into deviances in students' explanations about the consideration or not-consideration of specific concepts. While specific concepts seem to be commonly used by students (e.g., electronegativity), some concepts seem to be triggered by specific features of the task representation. While a lack of or a misunderstanding of concepts is often a problem, the present analysis illustrates that the selection of appropriate concepts relevant for the task at hand is also a major difficulty for students. Implications for teaching and options for supporting students in the process of inferring and selecting relevant concepts are discussed.
How Do Students Reason When They Have to Describe the “What” and “Why” of a Given Reaction Mechanism?
Authors: Hermanns Jolanda , Keller David
Published: December 2022

Students' mechanistic reasoning has been the focus of research in recent years. To initiate and research this reasoning, students were asked to explain mechanistic steps for mechanisms in organic chemistry formerly unknown to them. The mechanisms were divided into their singular steps and captions for each mechanistic step were written by the students resulting in mechanism comics. These mechanism comics were qualitatively evaluated. The coding process included three rounds. The written captions were assigned as ‘descriptive’ or ‘causal’, were assigned as ‘activities’ or ‘properties of entities’ and in the last round were analyzed to decide whether they were ‘technically correct’, ‘partially correct’ or ‘not correct’. The analysis shows that the students' reasoning was mostly descriptive. They described ‘what’ happened in the mechanistic steps with less ‘why’. The students mostly described ‘how’ the particles interacted. Because the mechanism comics do not need much time and effort, they are a suitable instrument for learning the design of reaction mechanisms and for getting insights in the quality of students' mechanistic reasoning.
Assessment of Assessment in Organic Chemistry—Review and Analysis of Predominant Problem Types Related to Reactions and Mechanisms
Authors: Bhattacharyya Gautam
Published: December 2022

Learning and applying reactions and their electron-pushing mechanisms constitutes the largest part of instruction in organic chemistry courses. Items such as—supplying missing components of reactions, either reagent(s) or product(s); proposing reaction mechanisms given starting material(s), reagent(s), and product(s); and proposing synthetic routes to target molecules—predominate course assessments. Because these problem types reflect the skills routinely used by expert organic chemists, instructors might expect that such items necessitate chemistry-based reasoning, i.e., reasoning based on chemical concepts, principles, and/or theories, by students. However, the research on how students attempt to solve different types of tasks related to reactions and their mechanisms indicate that in many cases students can successfully solve these tasks relying on rote memorization or domain-general reasoning strategies. Furthermore, whether students use chemistry-based reasoning is most often related to the formats in which the tasks are framed. This chapter identifies the types of reaction- and mechanism-based tasks which tend to cue students to chemistry-based reasoning strategies and those that do not. The research reviewed in this chapter suggests that the many of the types of items organic chemistry instructors traditionally use may not adequately assess students' reasoning.
Developing Machine Learning Models for Automated Analysis of Organic Chemistry Students’ Written Descriptions of Organic Reaction Mechanisms
Authors: Watts Field M. , Dood Amber J. , Shultz Ginger V.
Published: December 2022

Many assessments in organic chemistry ask students to produce reaction mechanisms with the electron-pushing formalism. It is well known that students can apply the electron-pushing formalism without engaging in chemical reasoning about the processes underlying mechanisms. Furthermore, engagement in mechanistic and causal reasoning correlates with student performance on organic chemistry tasks. Hence, it is valuable to elicit students' explanations of mechanisms beyond relying on traditional mechanism assessments. One evidence-based approach for encouraging and eliciting students' mechanistic explanations is through writing. However, instructors may hesitate to implement writing in their courses due to a lack of tools available to provide formative feedback on students' mechanistic explanations. To address this challenge, we analyzed students' written explanations of three different organic reaction mechanisms for individual features involved in mechanistic reasoning. In this chapter, we present our adaptation of Russ et al.'s mechanistic reasoning framework specifically for students' written explanations of organic chemistry reaction mechanisms. Additionally, we describe a set of predictive models which we have used to accurately identify features of students' writing involved in mechanistic reasoning in the context of the three different reaction mechanisms. This work has implications for instructors seeking to identify students' reasoning in written explanations of organic reaction mechanisms. Additionally, this work has implications for future research into developing immediate and automated student- and instructor-facing formative feedback to encourage students' development of mechanistic and causal reasoning.
Classical thiazole orange and its regioisomer as fluorogenic probes for nucleolar RNA imaging in living cells
Authors: He Mengmeng , Sato Yusuke , Nishizawa Seiichi
Published: December 2022

Thiazole orange (TO) performs as a promising fluorogenic dye for nucleolar RNA imaging in living cells. More interestingly, 2TO, a regioisomer of TO, performs much better and has superior selectivity for RNA in both solution and living cells.
Mitochondria-targeted fluorescent probe for imaging viscosity in hepatic ischemia–reperfusion injury cell model
Authors: Xie Dicheng , Ma Wenchao , Wang Chao , Zhang Weiping , Ding Zhiying
Published: December 2022

The viscosity of the cell microenvironment is a parameter that affects cell physiological processes.
Possible interplay of tangential and perpendicular modes in the growth of Fe-filled carbon nanotubes
Authors: Boi Filippo , Song Jiaxin , Guo Xilong , Zhang Lin , Guo Jian , He Yi , Wang Shanling , Wen Jiqiu
Published: December 2022

Boundary layer chemical vapour synthesis is a fabrication approach which exploits random fluctuations within the viscous boundary layer established between a laminar flow of pyrolyzed ferrocene and a rough substrate, to yield iron filled radial carbon nanotubes (CNTs).
Second ionization constant of sulfuric acid in H2O and D2O from 150 to 300 °C at p = 11.5 MPa using flow AC conductivity
Authors: Conrad Jacy K. , Arcis Hugues , Ferguson Jane P. , Tremaine Peter R.
Published: December 2022

The ionization constants of bisulfate in light and heavy water at high temperatures were determined from new AC conductivity measurements using a custom-built instrument and the Quint–Viallard conductivity model.
Carbon dioxide hydrogenation over the carbon-terminated niobium carbide (111) surface: a density functional theory study
Authors: Sarabadani Tafreshi Saeedeh , Ranjbar Mahkameh , Jamaati Maryam , Panahi S. F. K. S. , Taghizade Narges , Torkashvand Mostafa , de Leeuw Nora H.
Published: December 2022

Carbon dioxide (CO2) hydrogenation is an energetic process which could be made more efficient through the use of effective catalysts, e.g. transition metal carbides, such as niobium carbide.
Investigating the local structure of Ti based MXene materials by temperature dependent X-ray absorption spectroscopy
Authors: Olszewski Wojciech , Marini Carlo , Kajiyama Satoshi , Okubo Masashi , Yamada Atsuo , Mizokawa Takashi , Saini Naurang Lal , Simonelli Laura
Published: December 2022

The lower Ti–Txdisorder for the Ti2CTxthan the Ti3C2Txsystem results in a higher specific capacitance.
Photoabsorbance of supported metal clusters: ab initio density matrix and model studies of large Ag clusters on Si surfaces
Authors: Vazhappilly Tijo , Kilin Dmitri S. , Micha David A.
Published: December 2022

Silver metal clusters supported by a silicon solid surface show molecular electronic structure requiring ab initio treatments, and they also can display collective electronic phenomena similar to plasmons in metal solids.
The performance of CCSD(T) for the calculation of dipole moments in diatomics
Authors: Liu Xiangyue , McKemmish Laura , Pérez-Ríos Jesús
Published: December 2022

Is CCSD(T) a proper standard for dipole moment calculations?
Laser flash photolysis of titanium dioxide suspensions for the evaluation of solvent-mediated radical reactions
Authors: Hainer Andrew , Joshi Neeraj , Scaiano Juan C.
Published: December 2022

The chemistry originating from the scavenging of the highly electrophilic hole in TiO2 can be readily monitored using laser flash photolysis techniques.
Glycosidic α-linked mannopyranose disaccharides: an NMR spectroscopy and molecular dynamics simulation study employing additive and Drude polarizable force fields
Authors: Ruda Alessandro , Aytenfisu Asaminew H. , Angles d’Ortoli Thibault , MacKerell Alexander D. , Widmalm Göran
Published: December 2022

A wider conformational sampling takes place with the CHARMM Drude polarizable versus the additive C36 force field.
Neural network potentials for chemistry: concepts, applications and prospects
Authors: Käser Silvan , Vazquez-Salazar Luis Itza , Meuwly Markus , Töpfer Kai
Published: December 2022

Artificial Neural Networks (NN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of potential energy surfaces (PES) and spectroscopic predictions.
Deep learning models for the estimation of free energy of permeation of small molecules across lipid membranes
Authors: Dutta Prantar , Jain Deepak , Gupta Rakesh , Rai Beena
Published: December 2022

A hybrid computational approach based on molecular dynamics simulations and deep learning algorithms facilitate fast and accurate estimation of the free energy of permeation of small drug-like molecules across lipid bilayers.
Solvated electron-induced synthesis of cyclodextrin-coated Pd nanoparticles: mechanistic, catalytic, and anticancer studies
Authors: Guleria A. , Aishwarya J. , Kunwar A. , Neogy S. , Debnath A. K. , Rath M. C. , Adhikari S. , Tyagi A. K.
Published: December 2022

In situ generated solvated electrons were used for one-pot highly facile preparation of spherical and flower-shaped Pd NPs coated with cyclodextrin molecules. The catalytic and anticancer studies showed considerable influence of Pd NPs morphology.
Combined experimental and theoretical studies on a series of mononuclear LnIIIsingle-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues
Authors: Pramanik Kuheli , Jagličić Zvonko , Herchel Radovan , Brandão Paula , Jana Narayan Ch. , Panja Anangamohan
Published: December 2022

A series of mononuclear LnIIIsingle-molecule magnets reveals a dramatic influence of remote substitution on magnetic dynamics in Dy analogues.
Two-dimensional magnetic behaviour in hybrid NiFe-layered double hydroxides by molecular engineering
Authors: Seijas-Da Silva Alvaro , Carrasco Jose Alberto , Vieira Bruno J. C. , Waerenborgh João C. , Coronado Eugenio , Abellán Gonzalo
Published: December 2022

The magnetism of a family of NiFe-LDHs was studied enlarging the interlayer space and revealing a 2D magnetic behaviour. Moreover, a shift in the dominant magnetic interactions from ferro- to antiferromagnetic was observed for spacings >25 Å.
Eco-friendly multi-layered nanoswabs for sensitive removal of antibiotic-resistant bacteria from drinking water sources and their molecular biology studies
Authors: Raichur Archana , Sinha Niraj
Published: December 2022

A. Cell membrane invasion B. Interaction of nanoswabs with proteins etc. C. ROS-based damage. D. Gene damage E. No transcription. Multilayer cubic NSs as bactericides, gene silencers and enzyme inhibitors of ARB in drinking water sources.
Organics non-spectral interferences on nanoparticle characterization by means of single particle inductively coupled plasma mass spectrometry
Authors: Torregrosa Daniel , Gómez-Pertusa Carlos , Grindlay Guillermo , Gras Luis , Mora Juan
Published: December 2022

Organic non-spectral interferences on both number concentration and particle size distribution have been systematically investigated for Au-, Pt and SeNPs.
A modular microfluidic device that uses magnetically actuatable microposts for enhanced magnetic bead-based workflows
Authors: Kanies Olivia S. , Kremer Katelyn R. , Mason Brittany M. , Dudley Mitchell G. , Hlavay Joseph M. , Miller Cass T. , Spero Richard Chasen , Fisher Jay K.
Published: December 2022

A microfluidic chip (BeadPak) containing magnetically actuatable microposts for enhanced transport was developed to improve the performance of magnetic bead-based assays in low volume applications.
Microfluidic on-chip valve and pump for applications in immunoassays
Authors: Shen Haiying , Li Qiliang , Song Wenqi , Jiang Xingyu
Published: December 2022

Microfluidic on-chip valve and pump.
Lnc-TMEM132D-AS1 as a potential therapeutic target for acquired resistance to osimertinib in non-small-cell lung cancer
Authors: Wang Nan , Zhao Qilin , Huang Yutang , Wen Chunjie , Li Yaji , Bao Meihua , Wu Lanxiang
Published: December 2022

Lnc-TMEM132D-AS1 induces acquired resistance to osimertinib in NSCLC by the miR-766-5p/ENTPD1 axis.
Lithium storage performance and mechanism of nano-sized Ti2InC MAX phase
Authors: Xu Xueqin , Sha Dawei , Tian Zhihua , Wu Fushuo , Zheng Wei , Yang Li , Xie Shengyu , Zhang Peigen , Sun ZhengMing
Published: December 2022

Nano-sized Ti2InC prepared by ball milling combines the benefits of insertion-type and alloy-type electrodes and thus has a favorable capacity and long cycling life, suggesting that downsized MAX phases would be a promising anode.
Electromagnetic shielding performance of polyaniline-nanorod/graphene-nanoflake hybrid films in the S- and X-bands
Authors: R. Mohan Ranjini , Thejas Prasannakumar Anandhu , John Joseph , J. Varma Sreekanth , S. Jayalekshmi
Published: December 2022

Polyaniline nanorod-graphene nanoflake hybrid films are excellent broadband EMI shields. The extent of absorption can be effectively tuned by adjusting the concentration of graphene in the polyaniline matrix.
Selenium heteroatom-doped mesoporous carbon as an efficient air-breathing electrode for rechargeable lithium–oxygen batteries
Authors: Sankar Devi Vaithiyanathan , Elumalai Perumal
Published: December 2022

Intentional heteroatom-doped mesoporous carbon was generated from the spent disposable papercups and explored as an air-breathing electrode for rechargeable Lithium–Oxygen (Li–O2) battery.
Artemisinin as a therapeuticvs.its more complexArtemisiasource material
Authors: Weathers Pamela J.
Published: December 2022

Many small molecule drugs are first discovered in nature, commonly the result of long ethnopharmacological use by people, and then characterized and purified from their biological sources.
A molybdenum-based nanoplatform with multienzyme mimicking capacities for oxidative stress-induced acute liver injury treatment
Authors: Zhang Zhirui , Zhao Jiulong , Chen Zheng , Wu Hang , Wang Shige
Published: December 2022

PEGylated MoS2nanosheets were synthesized and modified with bovine serum albumin. These nanosheets exhibited a hepatoprotective effect, which reduces the number of apoptotic and necrotic tissues and inhibits the production of pro-inflammatory factors in disease models.
Bioremediation of a salty petrochemical wastewater containing bisphenol A by a novel indigenous Pseudomonas pseudoalcaligenes
Authors: Jahanshahi Sasan , Badiefar Leila , Khodabandeh Mahvash , Heidarnia Mohammad Ali , Yakhchali Bagher
Published: December 2022

The efficient biodegradation of bisphenol A (BPA) and phenol in salty petrochemical wastewater using a novel indigenous halotolerant, Pseudomonas sp. The bacterium has potential to be used for petrochemical and similar wastewaters treatment.
Facile synthesis of Si/Ge/graphite@C composite with improved tap density and electrochemical performance
Authors: Chang Ling , Lin Yan , Wang Kai , Yan Ruiqiang , Chen Wei , Zhao Zecong , Yang Yanping , Huang Guobo , Chen Wei , Huang Jian , Song Youzhi
Published: December 2022

A Si/Ge/graphite@C composite was synthesized by ball-milling and subsequent calcination. In the figure, the long-term cycling performance is displayed and the inset image is the tap density comparison of this sample with commercial graphite.
Antiviral role of nanomaterials: a material scientist's perspective
Authors: Aanish Ali Muhammad , Rehman Nagina , Park Tae Joo , Basit Muhammad Abdul
Published: December 2022

An overview of applications of nanoparticles and their combinations with a variety of antiviral drugs.
Design, synthetic approach,in silicomolecular docking and antibacterial activity of quinazolin-2,4-dione hybrids bearing bioactive scaffolds
Authors: Abdelmonsef Aboubakr H. , Omar Mohamed , Rashdan Huda R. M. , Taha Mohamed M. , Abobakr Ahmed M.
Published: December 2022

Antimicrobial resistance (AMR) is one of ten global public health threats facing humanity.
Study of the denitration performance of a ceramic filter using a manganese-based catalyst
Authors: Wang Zhenzhen , Peng Shuchuan , Zhu Chengzhu , Wang Bin , Du Bo , Cheng Ting , Jiang Zhaozhong , Sun Lei
Published: December 2022

The MnOx/γ-Al2O3 catalyst ceramic filter has a wide active temperature range with wide applicability.
The eight structures of caffeic acid: a jet-cooled laser ablated rotational study
Authors: Juárez G. , Sanz-Novo M. , Aguado R. , Alonso J. L. , León I. , Alonso E. R.
Published: December 2022

This work reports a complete conformational analysis of caffeic acid, an exceptionally versatile pharmacophore, using laser ablation chirped-pulse Fourier transform microwave spectroscopy.
Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives
Authors: Arif Nadia , Shafiq Zahid , Noureen Sajida , Khalid Muhammad , Ashraf Abida , Yaqub Muhammad , Irshad Shabana , Khan Muhammad Usman , Arshad Muhammad Nadeem , Carmo Braga Ataualpa Albert , Ragab Ahmed H. , Al-Mhyawi Saedah R.
Published: December 2022

Efficient synthesis of novel coumarin-based pyrano-chromene derivatives.
Recent progress in semiconductor/graphene photocatalysts: synthesis, photocatalytic applications, and challenges
Authors: Ahmed Mahmoud A. , Mohamed Ashraf A.
Published: December 2022

Organic pollutants in water pose serious risks to both human health and ecological systems; thus, semiconductor/graphene nanocomposites are used as effective photocatalysts for their removal.
Energy management strategy of a novel electric–hydraulic hybrid vehicle based on driving style recognition
Authors: Zhang Zhen , Zhang Tiezhu , Hong Jichao , Zhang Hongxin , Yang Jian
Published: December 2022

Driving style is one of the typical factors that impact vehicle energy management during real-world vehicular operation.
Conformal carbon nitride thin film inter-active interphase heterojunction with sustainable carbon enhancing sodium storage performance
Authors: Eren Enis Oğuzhan , Senokos Evgeny , Song Zihan , Yılmaz Elif Begüm , Shekova Irina , Badamdorj Bolortuya , Lauermann Iver , Tarakina Nadezda V. , Al-Naji Majd , Antonietti Markus , Giusto Paolo
Published: December 2022

Electrochemical sodium storage of a sustainable carbon anode is further improved via a carbon nitride artificial interphase. The heterojunction effect at the materials interface significantly improves the sodium storage performance.
Photoluminescence engineering with nanoantenna phosphors
Authors: Murai Shunsuke , Zhang Feifei , Aichi Koki , Tanaka Katsuhisa
Published: December 2022

The total radiation pattern is evaluated for nanoantenna phosphors comprising a periodic array of TiO2 particles on the phosphor plate. The antenna redistributes the spatial radiation pattern while the total emission intensity remains unchanged.