bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimizing simulator‐based training for emergency transesophageal echocardiography: A randomized controlled trial
Authors: Chenkin Jordan , Jelic Tomislav , Hockmann Edgar 
Published: January 2023

AbstractBackgroundResuscitative clinician‐performed transesophageal echocardiography (TEE) is a relatively novel ultrasound application; however, optimal teaching methods have not been determined. Previous studies have demonstrated that variable practice (VP), where practice conditions are changed, may improve learning of procedural skills compared with blocked practice (BP), where practice conditions are kept constant. We compared VP and BP for teaching resuscitative TEE to emergency medicine residents using a simulator.MethodsEmergency medicine residents with no prior TEE experience were randomized to the BP or VP groups. The BP group practiced 10 repetitions of a fixed five‐view TEE sequence, while the VP group practiced 10 different random five‐view TEE sequences on a simulator. Participants completed a performance assessment immediately after training and a transfer test 2 weeks after training. Ultrasound images and transducer motion metrics were captured by the simulator for blinded analysis. The primary outcome was the percentage of successful views on the transfer test.ResultsTwenty‐eight participants completed the study (14 in the BP group, 14 in the VP group). The BP group had a higher rate of successful views compared with the VP group on the transfer test (93.6% vs. 77.6%; p = 0.002). The BP group also had higher image quality on a 5‐point scale (3.3 vs. 2.9; p = 0.01) and fewer probe angular changes (2982.5 degrees vs. 4239.8 degrees; p = 0.04). There were no statistically significant differences between the groups for the rate of correct diagnoses, confidence level, or scan time.ConclusionsPracticing a fixed sequence of views was more effective than a variable sequence of views for learning resuscitative TEE on a simulator. These results should be validated in TEE scans performed in the clinical environment.
Simulated impacts of winter rye cover crop on continuous corn yield and soil parameters
Authors: Birru Girma , Shiferaw Andualem , Tadesse Tsegaye , Schmer Marty R. , Jin Virginia L. , Wardlow Brian , Koehler‐Cole Katja , Awada Tala , Beebout Sarah , Tsegaye Teferi , Kahrel Tulsi 
Published: January 2023

AbstractCover crops (CC) provide numerous ecosystem services such as improving soil health, reducing nutrient loss, increasing productivity, and mitigating greenhouse gas emission. However, adoption of CC has been hindered by perceived negative impacts on main crop productivity and additional production costs. This is partly attributed to the gap in current state of knowledge in CC and its interaction with main crop production under different biophysical conditions. In this study, Decision Support System for Agrotechnology Transfer model was used to evaluate the long‐term impact of cereal rye (Secale cereale L.) on corn (Zea mays L.) yield, soil organic carbon (SOC), nitrate leaching, soil water, and drainage for a range of climate, soil, and irrigation management in Eastern and Central Nebraska. A 30‐year (1991–2020) simulation showed no difference in corn yield and SOC between CC and no‐cover crop treatments at both sites under irrigated and rainfed conditions. However, CC resulted in reduction of N loss by up to 48% at the Eastern Nebraska Research and Extension Center and 24% at South Central Agricultural Laboratory under irrigation. Cereal rye has no significant effect on total soil water but, a significant reduction in cumulative subsurface drainage of 44% was determined at both sites. This study has shown the possible effect of cover crop on corn crop yield and soil properties over different regions in Nebraska. Future research extending the scope and geographic area is needed to test and quantify possible impacts of multiple CC species under diverse management and biophysical conditions.
Tomato leaf diseases classification using image processing and weighted ensemble learning
Authors: Javidan Seyed Mohamad , Banakar Ahmad , Vakilian Keyvan Asefpour , Ampatzidis Yiannis 
Published: January 2023

AbstractIn ensemble methods, multiple base classifiers with different performances are used to increase classification accuracy. This study proposes a novel weighted majority voting ensemble approach to classify red green blue images to identify the bacterial spot, late blight, leaf mold, sectorial leaf spot, target spot, early blight, and healthy tomato leaves. Color, textural, and shape features of the images were extracted to be used as inputs for base classifiers, followed by selecting the effective features using the relief method to increase the prediction performance. Six machine learning methods, that is, support vector machine, decision tree, random forest, k‐nearest neighbors, naïve Bayes, and discriminative analysis, were used as base classifiers, which resulted in 89.81%, 79.81%, 91.53%, 85.91%, 44.42%, and 82.84% accuracies, respectively. Then, simple majority and weighted majority voting ensemble methods were utilized to improve disease classification, the accuracies of which were 93.49% and 95.58%, respectively. The performance of the proposed method was compared with that of two well‐known deep learning methods, namely GoogLeNet and AlexNet, which exerted poor results. The findings of this study showed that the proposed framework based on weighted majority voting outperformed the base machine learning models in classifying tomato diseases.
Protein assembly: Controllable design strategies and applications in biology
Authors: Li Yijia , Tian Ruizhen , Shi Haolu , Xu Jiayun , Wang Tingting , Liu Junqiu 
Published: January 2023

AbstractProtein assembly is the structural basis for the collaboration between proteins to accomplish life activities due to its realization of the domain‐limited and precise spatial arrangement of proteins. Therefore, artificial manipulation of protein self‐assembly has profound implications in areas such as exploring the mysteries of life and developing biomaterials. In this review, we not only summarize the classical assembly strategies and the structures of exquisite protein assemblies, but also aim to generalize the flexible and controllable assembly tools and the “interaction” between the assembled protein‐based materials and the external environment. On the basis of this, the application, challenges and further development of protein assembly in biology are reviewed.
Aromatic compounds‐mediated synthesis of anatase‐free hierarchical TS‐1 zeolite: Exploring design strategies via machine learning and enhanced catalytic performance
Authors: Wang Chang'an , An Guoqing , Lin Jing , Zhang Xiaowei , Liu Zhiyuan , Luo Yibin , Liu Siqi , Cheng Zhixiang , Guo Tingting , Gao Hongyi , Wang Ge , Shu Xingtian 
Published: January 2023

AbstractSimultaneous achievement of constructing mesopores and eliminating anatase is a long‐term pursuit for enhancing the catalytic performance of TS‐1. Here, we developed an aromatic compounds‐mediated synthesis method to prepare anatase‐free and hierarchical TS‐1 for olefin epoxidation. A series of hierarchical TS‐1 zeolites were prepared by introducing aromatic compounds containing different functional groups via the crystallization process. The formation of intercrystalline mesopores and insertion of titanium into framework were facilitated at different extent. The synergistic coordination of carboxyl and hydroxyl in aromatic compounds with Ti(OH)4 realizes the uniform distribution of titanium species and eliminates the generation of anatase. Noteworthily, eight machine learning models were trained to reveal the mechanism of additive functional groups and preparation conditions on anatase formation and microstructure optimization. The prediction accuracy of most models can reach more than 80%. Benefiting from the larger mesopore volumes (0.37 cm3·g−1) and higher content of framework Ti species, TS‐DHBDC‐48h samples exhibit a higher catalytic performance than other zeolites, giving 1‐hexene conversion of 49.3% and 1,2‐epoxyhenane selectivity of 99.9%. The paper provides a facile aromatic compounds‐mediated synthesis strategy and promotes the application of machine learning toward the design and optimization of new zeolites.
Parameter estimation and prediction uncertainties for multi‐response kinetic models with uncertain inputs
Authors: Abdi Kaveh , Celse Benoit , McAuley Kimberley B. 
Published: January 2023

AbstractError‐in‐variables model (EVM) methods are used for parameter estimation when independent variables are uncertain. During EVM parameter estimation, output measurement variances are required as weighting factors in the objective function. These variances can be estimated based on data from replicate experiments. However, conducting replicates is complicated when independent variables are uncertain. Instead, pseudo‐replicate runs may be performed where the target values of inputs for repeated runs are the same, but the true input values may be different. Here, we propose a method to estimate output‐measurement variances for use in multivariate EVM estimation problems, based on pseudo‐replicate data. We also propose a bootstrap technique for quantifying uncertainties in resulting parameter estimates and model predictions. The methods are illustrated using a case study involving n‐hexane hydroisomerization in a well‐mixed reactor. Case‐study results reveal that assumptions about input uncertainties can have important influences on parameter estimates, model predictions and their confidence intervals.
Revisiting phylogeny, systematics, and biogeography of a Pleistocene radiation
Authors: Romeiro‐Brito Monique , Khan Gulzar , Perez Manolo F. , Zappi Daniela C. , Taylor Nigel P. , Olsthoorn Gerardus , Franco Fernando F. , Moraes Evandro M. 
Published: January 2023

AbstractPremisePilosocereus (Cactaceae) is an important dry forest element in all subregions and transitional zones of the neotropics, with the highest diversity in eastern Brazil. The genus is subdivided into informal taxonomic groups; however, most of these are not supported by recent molecular phylogenetic inferences. This lack of confidence is probably due to the use of an insufficient number of loci and the complexity of cactus diversification. Here, we explored the species relationships in Pilosocereus in more detail, integrating multilocus phylogenetic approaches with the assessment of the ancestral range and the effect of geography on diversification shifts.MethodsWe used 28 nuclear, plastid, and mitochondrial loci from 54 plant samples of 31 Pilosocereus species for phylogenetic analyses. We used concatenated and coalescent phylogenetic trees and Bayesian models to estimate the most likely ancestral range and diversification shifts.ResultsAll Pilosocereus species were clustered in the same branch, except P. bohlei. The phylogenetic relationships were more associated with the geographic distribution than taxonomic affinities among taxa. The genus began diversifying during the Plio‐Pleistocene transition in the Caatinga domain and experienced an increased diversification rate during the Calabrian age.ConclusionsWe recovered a well‐supported multispecies coalescent phylogeny. Our results refine the pattern of rapid diversification of Pilosocereus species across neotropical drylands during the Pleistocene and highlight the need for taxonomic rearrangements in the genus. We recovered a pulse of diversification during the Pleistocene that was likely driven by multiple dispersal and vicariance events within and among the Caatinga, Cerrado, and Atlantic Forest domains.
Novel noncanonical splice site variant causes mild CHD7‐related disorder with variable intrafamilial expressivity
Authors: Boschann Felix , Kosmehl Sabine , Bloching Marc , Grünhagen Johannes , Hildebrand Gabriele , Horn Denise , Lyutenski Stefan 
Published: January 2023

AbstractThe clinical diagnosis criteria for CHARGE syndrome have been revised several times in the last 25 years. Variable expressivity and reduced penetrance are known, particularly in mild and familial cases. Therefore, it has been proposed to include the detection of a pathogenic CHD7 variant as a major diagnostic criterion. However, intronic variants not located at the canonical splice site are still underrepresented in mutation databases, often because functional analysis is not performed in the diagnostic setting. Here, we report a two‐generation family that did not meet the criteria for CHARGE syndrome, until the molecular findings were taken into account. By exome sequencing, we detected an intronic variant in a male individual, who presented with unilateral external ear malformation, bilateral semicircular canal aplasia, polydactyly, vertebral body fusion and a heart defect. The variant was inherited by his mother, who also had bilateral semicircular canal aplasia additionally to unilateral sensorineural hearing impairment, unilateral mandibular palpebral synkinesia, orofacial cleft, and dysphagia. Using RNA studies, we were able to demonstrate that aberrant splicing occurs at an upstream cryptic splice acceptor site, resulting in a frameshift and premature stop of translation. Our data show causality of the noncanonical intronic CHD7 variant and end the diagnostic odyssey of this unsolved phenotype of the family.
Zwitterion‐Catalyzed Ring‐Opening of Epoxides with Carboxylic Acids
Authors: Qiang Shengsheng , Hu Rong‐Bin , Yeung Ying‐Yeung 
Published: January 2023

Abstract1,2‐Diol mono‐esters are useful building blocks in various areas. Herein, we report an efficient zwitterion‐catalyzed epoxide ring‐opening with carboxylic acids to give 1,2‐diol monoesters. The catalytic protocol was applicable to a wide range of substrates. In addition, aziridine instead of epoxide could be used. The zwitterionic catalyst could be recycled by a simple aqueous extraction. The synthetic utilities of the 1,2‐diol monoesters have been demonstrated.
Emerging Strategies for Asymmetric Synthesis: Combining Enzyme Promiscuity and Photo‐/Electro‐redox Catalysis
Authors: Long Chao‐Jiu , He Yan‐Hong , Guan Zhi 
Published: January 2023

AbstractAs an emerging opportunity to expand the reactivity repertoire of enzymes to achieve unnatural transformations of enzymes in organic synthesis, enzyme promiscuity has attracted great interest in recent years. The combination of enzyme catalysis and photo‐/electro‐redox catalysis which can benefit from both the exquisite selectivity of enzymes and unique chemical transformations accessible to photo‐/electro‐chemistry has many advantages, such as new reactivity, high enantioselectivity, green synthesis, and high yields. In the past decades, most photoenzymatic catalysis and enzymatic electrosynthesis mainly focused on exploiting regenerated cofactors to function in native enzymatic activity. However, recent developments have demonstrated that combining enzyme promiscuity and photo‐/electro‐redox catalysis can unlock new asymmetric reactions. This minireview highlights these emerging strategies and covers the literature from 2016 to date. Furthermore, the future development direction of this field is prospected.
Scurvy in the tropics: Evidence for increasing non‐adult micronutrient deficiency with the transition to agriculture in northern Vietnam
Authors: Vlok Melandri , Oxenham Marc Fredrick , Domett Kate , Trinh Hiep Hoang , Minh Tran Thi , Mai Huong Nguyen Thi , Matsumura Hirofumi , Huu Nghia Truong , Nguyen Lan Cuong , Willis Anna , Buckley Hallie 
Published: January 2023

AbstractObjectiveScurvy in non‐adults was assessed at the Pre‐Neolithic site of Con Co Ngua and the Neolithic site of Man Bac in northern Vietnam to investigate nutritional stress during the agricultural transition in Mainland Southeast Asia (MSEA).MaterialsOne hundred and four human skeletons under the age of 20 years old were assessed.MethodsLesions were recorded macroscopically and radiographically. Differential diagnosis using prior established paleopathological diagnostic criteria for scurvy was conducted.ResultsThere was no clear evidence for scurvy at Con Co Ngua and a high burden of scurvy was present at Man Bac (>79% diagnosed with probable scurvy). Scurvy levels were high across all non‐adult ages at Man Bac indicating significant burden throughout childhood and adolescence.ConclusionsNo scurvy at Con Co Ngua is consistent with widely available food sources at the peak of the Holocene thermal maximum. High levels of scurvy at Man Bac corresponds with decreased dietary diversity, high pathogen load, and increased population stress with the transition to agriculture around the time of the 4.2 ka desertification event.SignificanceThis is the first systematic population‐level non‐adult investigation of specific nutritional disease in MSEA and demonstrates an increase in nutritional stress during the Neolithic transition in northern Vietnam.LimitationsSubperiosteal new bone deposits can be due to normal growth in infants and young children, therefore, identification of scurvy in children under the age of 4 years needs to be considered critically.Suggestions for Further ResearchFurther work in diagnosing specific nutritional disease in other non‐adult cohorts throughout MSEA is required.
A Transformable and Bulky Methacrylate Monomer That Enables the Synthesis of an MMA‐nBA Alternating Copolymer: Sequence‐Dependent Self‐Healing Properties
Authors: Lai Haiwang , Jin Changming , Park Junsu , Ikura Ryohei , Takashima Yoshinori , Ouchi Makoto 
Published: January 2023

AbstractIn this study, we designed a methacrylate molecule with an alkyl‐substituted trichloro salicylic acid pendant as a transformable bulky monomer to enable the synthesis of an alternating copolymer of methyl methacrylate (MMA) and n‐butyl acrylate (nBA). The adamantyl‐substituted methacrylate monomer (1‐Ad) showed very low homopolymerization propensity in radical polymerizations, but afforded the alternating copolymer with nBA via copolymerization. The 1‐Ad units in the resultant copolymer were quantitatively and selectively transformed into MMA via transesterification with methanol to yield the alternating copolymer of MMA and nBA. Its alternating sequence was clearly demonstrated by a structural analysis via 13C NMR spectroscopy as well as the low reactivity ratios for the 1‐Ad and nBA pair. Finally, we verified the superior self‐healing ability of the alternating copolymer compared to that of the corresponding 1 : 1 statistical copolymer.
Borane als Wegbereiter zu anionischen cyclischen (Alkyl)(amino)carbenen (Ani‐cAACs)
Authors: Zapf Ludwig , Peters Sven , Radius Udo , Finze Maik 
Published: January 2023

AbstractErste anionische cyclische (Alkyl)(amino)carbene (Ani‐cAACs) mit Boran‐Substituenten wurden synthetisiert. Die σ‐Donor‐ und die π‐Akzeptor‐Eigenschaften können durch die Wahl des Boran‐Substituenten eingestellt werden. Ein B(CN)3‐funktionalisiertes Ani‐cAAC wurde erzeugt und in situ umgesetzt. Das verwandte C2F5BF2‐Ani‐cAAC 6 wurde in hoher Ausbeute im Multigrammmaßstab erhalten. Erste Reaktionen dieser neuartigen Liganden mit elementarem Selen und Chloro(triphenylphosphan)gold(I) gaben die anionischen Selen‐Addukte 7 und 8 und den Ani‐cAAC‐Goldkomplex 9. Die Eigenschaften dieser Verbindungen bieten zusammen mit theoretischen Daten einen Einblick in die elektronischen und sterischen Eigenschaften der neuartigen anionischen cAACs. Ani‐cAACs sind vor allem aufgrund ihrer leichten Zugänglichkeit sowie ihrer Eigenschaften wie der negativen Ladung, dem großen sterischen Anspruch und der guten σ‐Donor‐ und π‐Akzeptorfähigkeit einzigartige und vielversprechende neue Bausteine.
Visible‐Light‐Promoted Switchable Selective Oxidations of Styrene Over Covalent Triazine Frameworks in Water
Authors: Ayed Cyrine , Yin Jie , Landfester Katharina , Zhang Kai A. I. 
Published: January 2023

AbstractUsing photocatalytic oxidation to convert basic chemicals into high value compounds in environmentally benign reaction media is a current focus in catalytic research. The challenge lies in gaining controllability over product formation selectivity. We design covalent triazine frameworks as heterogeneous, metal‐free, and recyclable photocatalysts for visible‐light‐driven switchable selective oxidation of styrene in pure water. Selectivity in product formation was achieved by activation or deactivation of the specific photogenerated oxygen species. Using the same photocatalyst, by deactivation of photogenerated H2O2, benzaldehyde was obtained with over 99 % conversion and over 99 % selectivity as a single product. The highly challenging and sensitive epoxidation of styrene was carried out by creating peroxymonocarbonate as an initial epoxidation agent in the presence of bicarbonate, which led to formation of styrene oxide with a selectivity up to 76 % with near quantitative conversion. This study demonstrates a preliminary yet interesting example for simple control over switchable product formation selectivity for challenging oxidation reactions of organic compounds in pure water.
Boranes Paving the Way to Anionic Cyclic (Alkyl)(amino)carbenes (Ani‐cAACs)
Authors: Zapf Ludwig , Peters Sven , Radius Udo , Finze Maik 
Published: January 2023

AbstractFirst examples of anionic cyclic (alkyl)(amino)carbenes (Ani‐cAACs) that contain borane substituents have been synthesized. The nature of the borane substituents allows a modulation of the σ‐donor or π‐acceptor abilities compared to their neutral analogues. A B(CN)3‐substituted Ani‐cAAC has been generated and used in situ. The corresponding C2F5BF2‐Ani‐cAAC 6 was obtained in high yield on a multigram scale. First reactions of these novel ligands with elemental selenium and chloro(triphenylphosphine)gold(I) led to the anionic selenium adducts 7 and 8 and the Ani‐cAAC gold complex 9. The properties of these compounds and data derived from theoretical calculations provide an insight into the electronic and steric properties of these novel anionic cAACs. Especially the ease of synthesis and the combination of properties such as negative charge, large buried volume, and good σ‐donor and π‐acceptor ability renders Ani‐cAACs unique and promising new building blocks.
Antibacterial piperazine‐derived quaternized copolyesters with controlled degradability
Authors: Goel Shubhra , Kaur Manleen , Singh Neetu , Jacob Josemon 
Published: January 2023

AbstractThe slow degradability of aliphatic polyesters can be attributed to their poor hydrophilicity. In this article, we report on a series of biodegradable and biocompatible pH‐responsive piperazine‐based copolyesters labeled P2‐P7 synthesized by melt polycondensation approach that exhibit tunable hydrophilicity with antibacterial properties. X‐ray diffraction analysis showed the copolymers to be highly crystalline, with their crystallinity in the range of 41%–55%. Contact angle measurements showed moderate hydrophilicity, with a water contact angle of 59°–71° for P2‐P7 suggesting that the incorporation of piperazine units in the copolymer backbone moderately improves their hydrophilicity. N‐alkylation with methyl iodide further enhanced their hydrophilicity with their measured contact angles changing from 62° in unalkylated P2 to 27° in the fully alkylated analogue P12. The effect of crystallinity and hydrophilicity on polyester degradation was systematically investigated by hydrolytic degradation studies. The quaternized copolymer P10 showed ~39% reduction in molecular weight, whereas only ~19% of P2 was degraded in 8 weeks, thus exhibiting faster degradation in the quaternized polyester. The biocompatibility with U2OS cells and the antibacterial properties established their importance as potential biomedical materials.