bluuebunny/crossref_metadata_2025_split huggingface dataset:
Headspace Volatile Profiles of Achillea Species: A. aspleniifolia, A. crithmifolia, A. filipendulina, and A. virescens
Authors: Aćimović Milica , Vujisić Ljubodrag , Lončar Biljana , Ivanović Stefan , Rat Milica 
Published: November 2024

AbstractA comparative study of volatile compounds in four Achillea spices cultivated (A. aspleniifolia and A. filipendulina) and wild‐grown (A. crithmifolia and A. virescens) in Serbia was analysed by headspace gas chromatography‐mass spectrometry (HS‐GC‐MS). A total of 59 compounds were identified, representing 98.7–100 % of the total volatile compounds. In A. aspleniifolia, the dominant compound was β‐pinene, while in the other three Achillea species the dominant was 1,8‐cineole in combination with cis‐thujone in A. crithmifolia, α‐pinene, and p‐cymene and chrysanthenone in A. virescens. According to the sensory analysis of odour, A. aspleniifolia has the highest herbal intensity (due to β‐pinene) and significant citrus and spicy notes originate from other minor compounds. In other investigated species, the odor is herbal (due to 1,8‐cineole), but other compounds determine odor; A. filipendulina is notably minty, A. crithmifolia is strong woody and terpenic, with notable thujonic characteristics, while A. virescens has terpenic, camphoraceous and spicy notes.
Protein‐Protein Interaction and Conformational Change in the Alpha‐Helical Membrane Transporter BtuCD‐F in the Native Cellular Envelope
Authors: Joseph Benesh 
Published: November 2024

AbstractAlpha‐helical membrane proteins perform numerous critical functions essential for the survival of living organisms. Traditionally, these proteins are extracted from membranes using detergent solubilization and reconstitution into liposomes or nanodiscs. However, these processes often obscure the effects of nanoconfinement and the native environment on the structure and conformational heterogeneity of the target protein. We demonstrate that pulsed dipolar electron spin resonance spectroscopy, combined with the Gd3+‐nitroxide spin pair, enables the selective observation of the vitamin B12 importer BtuCD−F in its native cellular envelope. Despite the high levels of non‐specific labeling in the envelope, this orthogonal approach combined with the long phase‐memory time for the Gd3+ spin enables the observation of the target protein complex at a few micromolar concentrations with high resolution. In the native envelope, vitamin B12 induces a distinct conformational shift at the BtuCD‐BtuF interface, which is not observed in the micelles. This approach offers a general strategy for investigating protein‐protein and protein‐ligand/drug interactions and conformational changes of the alpha‐helical membrane proteins in their native envelope context.
Management of primary second molar with poor prognosis in patient with bilateral premolar agenesis: A case report with 1‐year follow‐up
Authors: Rajabi Nikoo 
Published: November 2024

Key Clinical MessageBilateral mandibular premolar agenesis is rare, and it is essential to retain the primary teeth until they can be replaced with dental implants. Although internal root resorption and periapical lesions in primary teeth have a poor prognosis, MTA dressing and restoring teeth with SSC impede the progress of internal resorption.
Unexpected Pneumothorax During Painless Flexible Bronchoscopy Under Remimazolam Sedation: Two Case Reports and a Literature Review
Authors: Luo Cong , Luo Ru‐Yi 
Published: November 2024

ABSTRACTThe timely recognition of pneumothorax during painless flexible bronchoscopy (PFB) can be challenging. This report describes two consecutive cases of pneumothorax following PFB, both of which were promptly identified and successfully treated. A sudden decrease in heart rate, combined with hypoxemia, is highly effective for detecting pneumothorax in patients undergoing PFB, with subcutaneous emphysema serving as a key auxiliary diagnostic sign. Remimazolam may provide significant clinical benefits in emergency situations during PFB by allowing patients to be quickly awakened to assist with diagnosis.
Neonatal Encephalopathy due to Glutaminase Deficiency in a Neonate
Authors: Achanta Unnati , Krishnan Shrinidhi , Chandrasekaran Ashok , Wilson S Robert , Aiyappan Senthil Kumar , Sundar Subash 
Published: November 2024

ABSTRACTIdentifying neurometabolic disorders that lead to neonatal encephalopathy is difficult, and access to exome sequencing is a significant advantage in developing countries. We present a case of neonatal encephalopathy characterized by refractory seizures and significant apnea resulting from glutaminase deficiency, along with elevated levels of glutamine and glycine in the cerebrospinal fluid. Although the condition was fatal, it was possible to offer genetic counseling and recommendations for future pregnancies following exome sequencing.
Seronegative Antiphospholipid Syndrome: A Challenging Case Report
Authors: Subahi Eihab A. , Aboukhalaf Soha , Mohammedain Shahd , Sayed Sagda , Ali Elrazi A. , Subahi Mohamed , Kamal Ijaz 
Published: November 2024

ABSTRACTSeronegative antiphospholipid syndrome (SN‐APS) is uncommon and challenging condition, which should be included in the differential diagnosis of stroke in young, since it can result in arterial thrombosis.SN‐APS is typically diagnosed by exclusion; however, it is crucial to recognize it in order to choose the best antithrombotic treatment to lower the recurrence rate.
Remarkable Effect of Stereoisomerism on the Am(III)/Ln(III) Solvent Extraction. New Ligands for Highly Efficient Separation of Americium
Authors: Petrov Valentine S. , Lemport Pavel S. , Evsiunina Mariia V. , Matveev Petr I. , Kalle Paulina , Nelyubina Yulia V. , Aksenova Svetlana A. , Averin Alexei D. , Yakushev Alexei A. , Roznyatovsky Vitaly A. , Zonov Roman V. , Petrov Vladimir G. , Gloriozov Igor P. , Ustynyuk Yuri A. , Nenajdenko Valentine G. 
Published: November 2024

AbstractTwo novel 1,10‐phenanthroline‐2,9‐diamide ligands were constructed on the basis of 2‐phenylpyrrolidine and obtained as pure diastereomers. These ligands demonstrated advanced properties in liquid‐liquid extraction tests. They revealed high efficiency of americium(III) extraction alongside with the record values of selectivity in the separation of americium from light lanthanides from strongly acidic media. An abrupt increase of extraction efficiency when moving along the lanthanide series from lanthanum to lutetium was observed. The examination of the extraction behavior of pure diastereomeric forms revealed noticeable differences in their selectivity while maintaining the overall extraction trend. The explanation of the discovered patterns was elucidated by a comprehensive study of the ability of the ligands to bind lanthanide nitrates in solutions. All the data collected (UV‐vis and NMR titration, X‐ray analysis of resulting complexes, solvation numbers estimation) were supported by quantum chemical calculation. These data clearly indicated that in the case of light lanthanides the formation of 1 : 1 complexes is most preferable. At the same time, complexes with heavy lanthanides, such as ytterbium and lutetium, exist as ionic pairs which may consist of [L2M]z+ cations counterbalanced by metallate anions, which may result in the formation of the species of unusual composition like L2M2 or even L4M5 clusters.
A Cascade Synthesis of Furo‐Pyrrolo‐Pyridines via Pd(II)‐Catalyzed Dual N−H/C Annulative‐Cyclization
Authors: Nath Dhara Hirendra , Manna Supriya , Patel Bhisma K. 
Published: November 2024

AbstractA Pd(II)‐catalyzed non‐template synthesis of furo[2,3‐b]pyrrolo[2,3‐d]pyridines from β‐ketodinitriles and buta‐1,3‐diynes has been accomplished via dual annulative cyclization. The participation of both the nitrile (−CN) groups led to the concurrent construction of three heterocycles viz. furan, pyrrole, and pyridine forming C−C, C=C, C−O, C−N, and C=N bonds in one pot. The synthetic utility of the protocol was further demonstrated through a few post‐synthetic manipulations.
Towards Designer Photocatalysts: Structure‐Property Relationships in 2,6‐Diaryl‐pyryliums
Authors: Konzal Jenna , Murley McKenna , Wolter Alaina , Camou Lazlo , Oberbroeckling Alex , Dekker Madilyn , Wagner Gillianne , Jennejohn Kate , Peters Madison , Hayes Natalie , Franklin Cory , Tobin Sydney , Collier Elizabeth , MacKenzie Ian 
Published: November 2024

AbstractFully organic photocatalyst systems are highly attractive, not merely because they are transition‐metal free, but more importantly due to their unique and often potent reactivity. A detailed understanding of the various redox states, both ground and excited state, and specifically what structural parameters control them is therefore crucial for harnessing the full potential of these systems in organic synthesis. However, unlike their organometallic counterparts, detailed structure‐property relationships for organic photocatalysts are largely absent from the literature. In this study, we demonstrate linear free‐energy relationships across a range of key photophysical and electrochemical properties of 2,6‐diarylpyryliums. Electronic absorption and emission maxima can be carefully tuned over the ranges of 83 nm and 102 nm respectively. Intramolecular charge transfer (ICT) interactions were revealed in cases of substitution with polarizable heavy‐atoms. A strong linear dependence of ground state reduction potentials on substituent electronics was observed. Notably, the excited state reduction potential, E*red, could be controlled over a range of nearly 1000 mV. Systematic errors in computational modeling of ground and excited state redox potentials were identified and corrected. We believe the quantitative structure‐property relationships identified here provide foundational tools for rational and predictive organic photocatalyst design.
Stereodivergent Macrocyclization in Dynamic Chiral Confinement
Authors: Tan Linfeng , Zheng Tianyi , Li Yongsheng , Lee Myongsoo 
Published: November 2024

AbstractThe absolute and relative configurations of a macrocyclic natural product bearing multiple chirality have a crucial influence on its physical and biological properties. Nevertheless, their preparation with full stereocontrol remains largely unexplored in synthetic community. Here, we show a stereodivergent macrocyclization under dynamic chiral confinement in which the stepwise chirality switching of a chiral space directs complete stereocontrol. To confine a substrate in a dynamic chiral space, we used a chiral capsule enclosing a substrate which is collectively switchable in the chirality in response to external stimuli, but their conformations are firmly fixed by subsequent self‐assembly. The consecutive chirality switching enables the confined reactions of an enclosed achiral substrate to sequentially install diverse chirality on a macrocycle product with full stereocontrol in a single pot operation, thus changing only a sequence of physical stimuli enables access to a remarkable stereodivergence in a macrocyclization process.
CFD Analysis of the Flow in Schwarz‐D TPMS Structures for Engineering Applications
Authors: Vhora Kasimhussen , Thévenin Dominique , Janiga Gábor , Sundmacher Kai 
Published: November 2024

AbstractA comprehensive analysis of the flow in Schwarz‐D triply periodic minimal surfaces (TPMS) structures based on CFD simulations is presented. The pressure drops and friction factor characteristics of the structure are investigated by employing both full‐scale and representative elementary volume (REV)‐scale CFD setups. The results are validated against experimental data from the literature. An analytical model is developed using hydraulic diameter, porosity, and permeability from the CFD simulation results. The findings contribute valuable insights into the optimization and application of Schwarz‐D TPMS structures in engineering systems.
Particle Size and Crystal habit Modification of Ammonium Perchlorate Using Cooling Sonocrystallization Process
Authors: Lin Shumin , Khudaida Salal Hasan , Su Chie‐Shaan 
Published: November 2024

AbstractAmmonium perchlorate (AP) is a widely used solid oxidizer in solid propellant formulations, with its particle size and crystal habit significantly affecting performance. Since controlling these properties remains challenging, this study employs an intensified crystallization strategy, specifically a cooling sonocrystallization process, to recrystallize AP to control and modify its particle size and crystal habit. The effects of solution concentration, sonication intensity, sonication pulse on/off recipe, and cooling rate on the recrystallization of AP are first investigated using a Taguchi L9 orthogonal array design. By understanding the main effect of these operating parameters, further sonocrystallization experiments are designed for process improvement. Compared with the unprocessed AP, the crystal habit and mean particle size of AP are considerably modified after cooling sonocrystallization, achieving a mean size of approximately 50 µm with a regular habit. Consistency in crystal structure and spectrometric properties between sonocrystallized and unprocessed AP was confirmed. Furthermore, the thermal properties and decomposition behavior of the sonocrystallized AP are analyzed, revealing improved exothermic characteristics. These results prove that cooling sonocrystallization is an efficient tool for producing AP particles and also holds the potential for preparing fine particles of other energetic materials.
Enhancement of Selective Catalytic Oxidation of Lignin β‐O‐4 Bond via Orbital Modulation and Surface Lattice Reconstruction
Authors: Chen Haonan , Qin Baolong , Zhang Qi , Hu Xiaohong , Ma Longlong , Zhang Xinghua , Tang Zhiyuan , Chen Lungang 
Published: November 2024

AbstractThe orbital modulation and surface lattice reconstruction represent an effective strategy to regulate the interaction between catalyst interface sites and intermediates, thereby enhancing catalytic activity and selectivity. In this study, the crystal surface of Au−K/CeO2 catalyst can undergo reversible transformation by tuning the coordination environment of Ce, which enables the activation of the Cβ−H bond and the oxidative cleavage of the Cβ‐O and Cα−Cβ bonds, leading to the cleavage of 2‐phenoxy‐1‐phenylethanol. The t2g orbitals of Au 5d hybridize with the 2p orbitals of lattice oxygen in CeO2 via π‐coordination, modulating the coordination environment of Ce 4 f and reconstructing the lattice oxygen in the CeO2 framework, as well as increasing the oxygen vacancies. The interface sites formed by the synergy between Au clusters in the reconstructed Ce−OL1−Au structure and doped K play dual roles. On the one hand, it activates the Cβ−H bond, facilitating the enolization of the pre‐oxidized 2‐phenoxy‐1‐phenylethanone. On the other hand, through single‐electron transfer involving Ce3+ 4f1 and the adsorption by oxygen vacancies, it enhances the oxidative cleavage of the Cβ‐O and Cα−Cβ bonds. This study elucidates the complex mechanistic roles of the structure and properties of Au−K/CeO2 catalyst in the selective catalytic oxidation of lignin β‐O‐4 bond.
Effects of Manipulated Rainfall and Intraspecific Variation Within Dominant Species on Community Assembly: Insights From a Long‐Term Grassland Restoration Experiment
Authors: Ren Zhe , Baer Sara G. , Johnson Loretta C. , Galliart Matthew B. , Gibson David J. 
Published: November 2024

ABSTRACTGrasslands converted to agricultural land use can be reestablished by sowing seeds of native species and temporal dynamics of diversity under altered climate can inform community assembly in the context of global change. We quantified three aspects of diversity (species richness, phylogenetic diversity, and functional diversity) in restored prairie plots sown with different ecotypes of two dominant grass species and manipulated rainfall to understand the relative importance of abiotic filtering and population source of dominant species on community assembly. We also evaluated the contributions of intra‐ and interspecific variations in functional traits across plots sown with different ecotypes of dominant species. Since the fourth year of community establishment, species richness decreased over time as dominant species gradually established. Phylogenetic and functional diversity was unaffected by the ecotypic sources of dominant species during restoration. Experimental drought did not affect species richness, phylogenetic, or functional diversity. Community structure in the grasslands was mainly shaped by intraspecific, within‐population variation in the dominant species rather than by differences in traits among species. Our results showed that intraspecific biotic interactions contribute more than environmental filtering to community assembly in a tallgrass‐dominated prairie ecosystem.
Improving access to undergraduate research using digitized natural history collections course‐based research experiences
Authors: Krumm Janice L. , Jordan Carly N. , Bronson Cecily D. , Weglarz Kathryn M. , Genet Kristen , Johnson Matthew G. , Phillips Molly , Flemming Adania , Shea Elizabeth K. , Hewlett James , Soltis Pamela S. , McCarthy Jennifer , Trillo Paula A. , Woods Jean 
Published: November 2024

AbstractCourse‐based undergraduate research experiences (CUREs) can be a powerful tool in broadening participation in undergraduate research. In this paper, we review the benefits of and barriers to undergraduate research experiences and explore how CUREs can mitigate some of those issues. As a part of the NSF‐supported Biological Collections in Ecology and Evolution Network (BCEENET) activities, a series of network meetings produced a set of recommendations to increase the accessibility of CUREs for all students at all institution types. We use BCEENET CUREs that focus on digitized natural history collections data to illustrate how leveraging adaptable open educational resources that use freely available data and analysis tools can increase accessibility of undergraduate research. We also discuss how inclusive networks of educators and research collaborators can support broadening CURE implementation.
Biodiversity is not a luxury: Unpacking wealth and power to accommodate the complexity of urban biodiversity
Authors: Poulton Kamakura Renata , Bai Jin , Sheel Vallari , Katti Madhusudan 
Published: November 2024

AbstractA positive correlation between wealth and biodiversity within cities is a commonly documented phenomenon in urban ecology that has come to be labeled as the “luxury effect.” We contend that both this language and this framing restrict our understanding of how sociopolitical power dynamics influence biodiversity within and across cities. We describe how the term “luxury” is not appropriately applied to describe patterns of biodiversity and how the pattern depends on the form(s) of biodiversity investigated. While we recognize examples where there is a positive relationship between socioeconomic status and biodiversity, we describe numerous examples where either opposite patterns or no clear relationship between wealth and biodiversity is found. We propose an alternate framework, the POSE framework, that examines the Power, Objectives, mediating Socio‐ecological context, and Effort of specific actors and how those may influence biodiversity. The mediating socio‐ecological context includes everything from biophysical limitations to historical context and the actions of other actors. Further, it is important to understand how and to what degree we expect the actor's actions to influence biodiversity in order to design studies that are able to detect these shifts in biodiversity. We contend that complicating our analysis to focus more on power generally, rather than socioeconomic status specifically, as well as the specific objectives of actors of interest within their socio‐ecological context offers a more flexible approach that can be applied in a wider range of socio‐ecological contexts and allows for more directed policy interventions.
Non‐Covalent Interactions Directed Supramolecular Helices from H‐bonded Building Blocks
Authors: Liu Chuan‐Zhi , Hou Shuang‐Shuang , Zhang Chi , Wang Tao , Zhai Bin 
Published: November 2024

AbstractChemists have developed sophisticated structural monomers and meticulously regulated the strength and directionality of non‐covalent interactions to assemble a variety of novel supramolecular helices in accordance with the second strategy, resulting in significant research advancements. These investigations not only enhance our comprehension of the supramolecular assembly process but also inspire innovative approaches for the development of supramolecular materials and related domains within materials chemistry. In the strategy for constructing supramolecular helices, utilizing non‐covalent interactions between monomers as a bonding force is an effective method for further assembling monomeric units with H‐bonded meniscus structures into helical configurations. Hydrogen and and halogen bonds represent two distinct categories of non‐covalent interactions that have increasingly attracted scholarly attention in recent years, demonstrating extensive and significant applications in the assembly of diverse supramolecular topologies. This paper provides a summary of several instances where these interactions facilitate the self‐assembly of supramolecular helices. Moreover, although the development of chalcogen bonding has emerged relatively recently compared to their counterparts, and despite their limited application in complex assembly structures, they have nonetheless been effectively employed in the construction of supramolecular helices.
Kinematic Analysis and Optimization of Jerk Considering Elasticity of Weightlifting Bar and Damping Effect of Body in Clean and Jerk
Authors: Jon Min Hyok , Rim Un‐Ryong 
Published: November 2024

ABSTRACTThe purpose of this study is kinematic analysis and optimization of jerk considering elasticity of the weightlifting bar and damping effect of the body. In order for weightlifters to achieve good technical skills in clean and jerk, the elasticity of weightlifting bar needs to be examined. First of all, barbell's trajectory, which leads to derivation of barbell's velocity and acceleration over time, is tracked by using image processing technology such as pattern recognition from video clip filmed the lifter's performance. Since the pull used during the clean is similar to the pull used during the snatch, the focus is set on examination of the jerk. Five kinematic characteristics—“Jerk‐Preparing‐Time,” “Jerk‐Drive‐Velocity,” “Jerk‐Time,” “Jerk‐Offset,” and “Jerk‐Drop” are newly introduced to evaluate the jerk technique. Then, a kinematic model which is comprised of springs and dashpots is proposed in order to simulate and optimize the jerk using elasticity of weightlifting bar. Spring constant and damping coefficient of the model is estimated by analyzing the barbell's oscillation on the shoulders. Besides, spring constant is calculated by theory of bending of beam, as well. Finally, an optimal control problem based on the proposed kinematic model is formulated to optimize the jerk. The methodology is illustrated with case study, showing good agreement with actual lifts. It could be useful for improving the jerk technique.