bluuebunny/crossref_metadata_2025 huggingface dataset:
4D Printing of Personalized‐Tunable Biomimetic Periosteum with Anisotropic Microstructure for Accelerated Vascularization and Bone Healing
Authors: Liu Chao , Lou Yiting , Sun Zheyuan , Ma Haiying , Sun Mouyuan , Li Shengjie , You Dongqi , Wu Junjie , Ying Binbin , Ding Wanghui , Yu Mengfei , Wang Huiming
Published: May 2023

An ideal biomimetic periosteum is expected to wrap various bone surfaces to orchestrate an optimal microenvironment for bone regeneration, including facilitating local vascularization, recruiting osteoblasts, and mineralizing the extracellular matrix (ECM). To mimic the role of the natural periosteum in promoting bone repair, a 4D printing technique to inlay aligned cell sheets on shape‐shifting hydrogel is used, containing biophysical signals and spatially adjustable physical properties, for the first time. The outer hydrogel layer endows the biomimetic periosteum with the ability to digitally coordinate its 3D geometry to match the specific macroscopic bone shape to maintain a bone healing microenvironment. The inner aligned human mesenchymal stem cells (hMSCs) layer not only promotes the migration and angiogenesis of co‐cultured cells but also exhibits excellent osteogenic differentiation properties. In vivo experiments show that apart from morphing preset shapes as physical barriers, the aligned biomimetic periosteum can actively facilitate local angiogenesis and early‐stage osteogenesis. Altogether, this present work provides a novel route to construct a personalized biomimetic periosteum with anisotropic microstructure by introducing a tunable shape to maintain the bone reconstruction microenvironment and this strategy can be extended to repair sophisticated bone defects.
Metal‐Bonded Atomic Layers of Transition Metal Carbides (MXenes)
Authors: Cheng Zongju , Du Zhiguo , Chen Hao , Zhao Qi , Shi Yu , Wang Haiyang , Ye Yuxuan , Yang Shubin
Published: May 2023

Although 2D transition metal carbides and nitrides (MXenes) have fantastic physical and chemical properties as well as wide applications, it remains challenging to produce stable MXenes due to their rapid structural degradation. Here, unique metal‐bonded atomic layers of transition metal carbides with high stabilities are produced via a simple topological reaction between chlorine‐terminated MXenes and selected metals, where the metals enable them to not only remove partially Cl terminations, but also bond with adjacent atomic MXene slabs, driven by the symmetry of MAX phases. The films constructed from Al‐bonded Ti3C2Clx atomic layers show high oxidation resistance up to 400 °C and low sheet resistance of 9.3 Ω sq−1. Coupled to the multilayer structure, the Al‐bonded Ti3C2Clx film displays a significantly improved electromagnetic interference (EMI) shielding capability with a total shielding effectiveness value of 39 dB at a low thickness of 3.1 µm, outperforming pure Ti3C2Clx film.
Reusable Structural Colored Nanostructure for Powerless Temperature and Humidity Sensing
Authors: Cencillo‐Abad Pablo , Mastranzo‐Ortega Pamela , Appavoo Divambal , Guo Tianyi , Zhai Lei , Sanchez‐Mondragon Javier , Chanda Debashis
Published: May 2023

Nanostructured materials have enabled new ways of controlling the light–matter interaction, opening new routes for exciting applications, in display technologies and colorimetric sensing, among others. In particular, metallic nanoparticles permit the production of color structures out of colorless materials. These plasmonic structural colors are sensitive to the environment and thus offer an interesting platform for sensing. Here, a self‐assembly of aluminum nanoparticles in close proximity of a mirror is spaced by an ultrathin poly(N‐isopropylacrylamide) (PNIPAM) layer. Hybridizing the plasmonic system with the active polymer layer, a thermoresponsive gap‐plasmon architecture is formed that transduces changes in the temperature and relative humidity of the environment into color changes. By harnessing the environmentally induced structural changes of PNIPAM, it was estimated from the finite difference time domain simulation that the resonance can be tuned 7 nm per every 1 nm change in thickness, resulting in color variation. Importantly, these fully reversible changes can be used for reusable powerless humidity and temperature colorimetric sensing. Crucially if condensation on the structure happens, the polymer layer is deformed beyond recovery and the colors are washed away. We leverage this effect to produce tamper‐proof dew labels that a straightforward smartphone app can read by taking a picture.
“Cation Activation”: An Effective Strategy for the Enhancement of Birefringence
Authors: Hu Chenhui , Wu Mengfan , Zhang Miao , Han Jian , Hou Xueling , Zhang Feng , Yang Zhihua , Pan Shilie
Published: May 2023

For traditional birefringent materials, the anion groups play the leading role in birefringence, while the alkali‐metal and alkaline‐earth‐metal cations are nearly inactive. This work proposes a strategy to activate the functions of the cation groups and uses the hydroxyborate systems for illustration. The experimental verification is carried out in the same anionic frame by replacing the traditional metal cations with the birefringence‐active units including planar groups of protonation [C(NH2)3], [C3N2H5], and [CN4H7]. The structures of four new hydroxyborates, α‐Rb2[B4O5(OH)4]·H2O, β‐Rb2[B4O5(OH)4]·H2O, [C(NH2)3]2[B4O5(OH)4]·H2O, and (CN4H7)B5O6(OH)4 are obtained for the first time, and [C(NH2)3]2[B4O5(OH)4]·H2O exhibits a markedly enlarged birefringence, which is about 2.75 times that of α‐Rb2[B4O5(OH)4]·H2O theoretically because the activated cations appear. This strategy breaks the dominant status of anions in the design of UV/deep ultraviolet materials with large birefringence and has significant implications for the rational design and discovery of materials with large birefringence in the future.
Synergistic Effect of H‐bond Reconstruction and Interface Regulation for High‐Voltage Aqueous Energy Storage
Authors: Hu Tianzhao , Ye Zhicheng , Wang Yuzuo , Gao Xuning , Sun Zhenhua , Li Juan , Chen Shaorui , Lian Cheng , Xu Qun , Li Feng
Published: May 2023

Aqueous cells have gained widespread attention for their low‐cost and safety. However, the 1.23 V thermodynamic stability window of water severely limits their development and application. To solve this issue, this study proposes and demonstrates that regulators can enhance and protect water molecules through hydrogen bond reconstruction and assist in solid electrolyte interface generation. The expanded electrochemical window enables the construction of aqueous symmetric capacitors and Nb18W16O93||LiMn2O4 aqueous lithium‐ion batteries with voltages both up to 2.6 V, while exhibiting considerable Coulombic efficiency and high cycle stability. It is shown that efficient regulation of interaction and electrochemical window can also be achieved by a regulator alone, without relying on the effect of salt itself or the extreme reduction of water content. This not only provides a simple and effective way to develop aqueous cells, but also provides a new understanding for the research and utilization of H‐bonds and intermolecular interactions in water.
An integrated therapeutic approach to sickle cell disease management beyond infancy
Authors: Ribeil Jean‐Antoine , Pollock Galia , Frangoul Haydar , Steinberg Martin H.
Published: May 2023

Hydroxyurea, the first approved drug for sickle cell disease, decreases sickle hemoglobin polymerization by inducing fetal hemoglobin. Its effects in young children are excellent; responses in adults are variable and not curative. The goal of pharmacotherapy should not be disease “moderation” but reducing morbidity and mortality by diminishing both hemolytic anemia and vaso‐occlusive events. This is best done by preventing sickle hemoglobin polymerization; if anti‐polymerization treatment is insufficient, agents disrupting pathophysiologic pathways “downstream” of the sickle hemoglobin polymer should be added. We recommend that all patients should be started first on maximal doses of hydroxyurea. When the clinical and hematologic response to hydroxyurea is insufficient, as it is almost always in adults, we favor adding voxelotor, a hemoglobin‐oxygen affinity‐shifting agent that, likely in a pancellular distribution, decreases sickle hemoglobin polymerization. The P‐selectin inhibitor crizanlizumab reduces sickle cell‐endothelial interactions and can be used in patients with continued vaso‐occlusive events. There is no physiologic reason that all three drugs could not be combined when the response to monotherapy or dual‐drug therapy is poor. Drug therapy must be considered in the context of possibly “curative” cellular therapeutics and if needed, exchange transfusion programs.
Asian Americans’ and Pacific Islanders’ preferences in recruitment strategies and messaging for participation in the CARE registry: A discrete choice experiment
Authors: Ta Park Van M. , Grill Joshua D. , Tsoh Janice , Meyer Oanh L. , Ameli Niloufar , Helman Sarit , Tzuang Marian , Nam Bora , Hinton Ladson , Kanaya Alka , Gallagher‐Thompson Dolores , Vuong Quyen , Bang Joon , Shin Hye‐Won , Gansky Stuart A.
Published: May 2023

INTRODUCTION

This discrete choice experiment (DCE) identified Asian American and Pacific Islander (AAPI) adults’ preferences for recruitment strategies/messaging to enroll in the Collaborative Approach for AAPI Research and Education (CARE) registry for dementia‐related research.

METHODS

DCE recruitment strategy/messaging options were developed in English, Chinese, Korean, and Vietnamese. AAPI participants 50 years and older selected (1) who, (2) what, and (3) how they would prefer hearing about CARE. Analyses utilized conditional logistic regression.

RESULTS

Participants self‐identified as Asian Indian, Chinese, Filipino, Japanese, Korean, Samoan, or Vietnamese (N = 356). Overall, they preferred learning about CARE from the healthcare community (vs. community champions and faith‐based organizations), joining CARE to advance research (vs. personal experiences), and hearing about CARE through social media/instant messaging (vs. flyer or workshop/seminar). Preferences varied by age, ethnic identity, and survey completion language.

DISCUSSION

DCE findings may inform tailoring recruitment strategies/messaging to engage diverse AAPI in an aging‐focused research registry.
Metal–Organic Framework Crystal–Glass Composite Membranes with Preferential Permeation of Ethane
Authors: Ao De , Yang Zibo , Qiao Zhihua , Sun Yuxiu , Zhang Zhengqing , Guiver Michael D. , Zhong Chongli
Published: May 2023

Metal–organic framework (MOF) glass is an easy to process and self‐supported amorphous material that is suitable for fabricating gas separation membranes. However, MOF glasses, such as ZIF‐62 and ZIF‐4 have low porosity, which makes it difficult to obtain membranes with high permeance. Here, a self‐supported MOF crystal–glass composite (CGC) membrane was prepared by melt quenching a mixture of ZIF‐62 as the membrane matrix and ZIF‐8 as the filler. The conversion of ZIF‐62 from crystal to glass and the simultaneous partial melting of ZIF‐8 facilitated by the melt state of ZIF‐62 make the CGC membrane monolithic, eliminating non‐selective grain boundaries and improving selectivity. The thickness of CGC membrane can be adjusted to fabricate a membrane without the need of a support substrate. CGC membranes exhibit a C2H6 permeance of 41 569 gas permeation units (GPU) and a C2H6/C2H4 selectivity of 7.16. The CGC membrane has abundant pores from the glassy state of ZIF‐62 and the crystalline ZIF‐8, which enables high gas permeance. ZIF‐8 has preferential adsorption for C2H6 and promotes C2H6 transport in the membrane, and thus the GCG membrane exhibits ultrahigh C2H6 permeance and good C2H6/C2H4 selectivity.
Macroscopic Assembly of Chiral Hydrogen‐bonded Metal‐free Supramolecular Glasses for Enhanced Color‐tunable Ultralong Room Temperature Phosphorescence
Authors: Nie Fei , Yan Dongpeng
Published: May 2023

Glassy materials, with desirable mechanical rigidity, shaping ability, high transparency, are attracting great interest in diverse fields. However, optically bulk molecule‐based glasses are still rare, mainly due to limited monomeric species and harsh preparation conditions. Herein, we report a facile bottom‐up solution fabrication process to obtain metal‐free supramolecular glasses (SMGs) at the macroscopic scale using L‐Histidine and hexamethylenetetramine as building blocks. The chiral SMGs possess color‐tunable ultralong room temperature phosphorescence (decay lifetime up to 141.2 ms) and circular polarized luminescence (g factor up to 8.7×10−3). The strong hydrogen bonds effectively drive the formation of SMGs, and provide a rigid microenvironment to boost triplet exciton generation. By virtue of excitation‐ and temperature‐dependent ultralong phosphorescence of the SMGs, applications including multicolored displays, visual UV detection, and persistently luminescent thermometer are demonstrated.
Visible Light‐fueled Mechanical Motions with Dynamic Phosphorescence Induced by Topochemical [2+2] Reactions in Organoboron Crystals
Authors: Bhandary Subhrajyoti , Beliš Marek , Bourda Laurens , Kaczmarek Anna M. , Van Hecke Kristof
Published: May 2023

In the quest for essential energy solutions towards an ecological friendly future, the transformation of visible light/solar energy into mechanical motions in metal‐free luminescent crystals offers a sustainable choice of smart materials for lightweight actuating, and all‐organic electronic devices. Such green energy‐triggered photodynamic motions with room temperature phosphorescence (RTP) emission in molecular crystals have not been reported yet. Here, we demonstrate three new stoichiometrically different Lewis acid‐base molecular organoboron crystals (PS1, PS2, and PS3), which exhibit rapid photosalient effects (ballistic splitting, moving, and jumping) under both ultraviolet (UV) and visible light associated with quantitative single‐crystal‐to‐single‐crystal (SCSC) [2+2] cycloaddition of preorganized olefins. Furthermore, these systems respond to sunlight and mobile (white) flashlight with a complete SCSC transformation in a relatively slow fashion. Remarkably, all PS1, PS2, and PS3 crystals display visible light‐promoted dynamic green RTP as their emission peaks promptly blue‐shift, due to instantaneous photomechanical effects. Time‐dependent structural mapping of intermediate photoproducts during fast SCSC [2+2] photoreaction, by X‐ray photodiffraction, reveals a rationale for the origin of these photodynamic motions associated with rapid topochemical transformations. The reported light‐driven behavior (mechanical motions, dynamic phosphorescence, and topochemical reactivity), is considered advantageous for the strategic design of stimuli‐responsive multi‐functional crystalline materials.
Trinuclear Gold‐Catalyzed 1,2‐Difunctionalization of Alkenes
Authors: Fang Qing‐Yun , Han Jie , Qin Mingzhe , Li Weipeng , Zhu Chengjian , Xie Jin
Published: May 2023

Activated alkyl halides have been extensively explored to generate alkyl radicals with Ru‐ and Ir‐ photocatalysts for 1,2‐difunctionalization of alkenes, but unactivated alkyl bromides remain challenging substrates due to their strong reduction potential. Here we report a three‐component 1,2‐difunctionalization reaction of alkenes, unactivated alkyl bromides and nucleophiles (e.g., amines and indoles) using a trinuclear gold catalyst [Au3(tppm)2](OTf)3. It can achieve the 1,2‐aminoalkylation and 1,2‐alkylarylation readily. This protocol has a broad reaction scope and excellent functional group compatibility (>100 examples with up to 96 % yield). It also affords a robust formal [2+2+1] cyclization strategy for the concise construction of pyrrolidine skeletons under mild reaction conditions. Mechanistic studies support an inner‐sphere single electron transfer pathway for the successful cleavage of inert C−Br bonds.
Synthesis of the reactive hindered phenol antioxidant 3,5‐di‐tert‐butyl‐4‐hydroxyphenyl methyl isobutylene ester and its application in ABS resin
Authors: Wang Xiao‐Peng , Yao Feng‐Hang , Chen Jie
Published: May 2023

In this study, a reactive hindered phenol antioxidant, 3,5‐di‐tert‐butyl‐4‐hydroxyphenyl methyl isobutylene ester (DBHMIE), was synthesized and used to improve the antioxidant performance of ABS (acrylonitrile‐butadiene‐styrene terpolymer) resin. The chemical structure of DBHMIE was determined with Fourier transform infrared spectroscopy,1H nuclear magnetic resonance (NMR), and13C NMR spectroscopy. Moreover, the effects of the DBHMIE content on the antioxidant capabilities, thermal stabilities, tensile strengths, impact strengths, and morphologies of the ABS/antioxidant systems were investigated. The results indicated that the oxidation induction temperatures of the systems increased from 229.7 to 245.4°C as the DBHMIE content was increased from 0 to 0.5 wt%. The 5% mass loss temperature of the system was increased from 338.4 to 347.8°C by the addition of 0.3 wt% DBHMIE. The impact strengths of the systems increased with increasing DBHMIE content up to 0.1 wt% and then decreased. The addition of DBHMIE did not significantly affect the tensile strength of the ABS resin. SEM images showed that the DBHMIE was uniformly distributed in the ABS resin at low DBHMIE contents and agglomerated at high DBHMIE contents.
Effect of injection molding conditions on the properties of polyamide 6/calcium carbonate nanocomposite
Authors: A. Augusto Thiago , J. Carastan Danilo , N. B. Santos Amanda , C. Bonse Baltus
Published: May 2023

The application range of polyamide 6 in lightweight part applications can be significantly increased by using appropriate processing parameters and by incorporating additives. Therefore, specimens were manufactured at varying mold temperatures and injection velocities to study the effect of injection molding parameters on the properties of polyamide 6 and its nanocomposite with nano‐calcium carbonate. Mechanical properties, degree of crystallinity, density, heat deflection temperature, and melt flow index were measured to assess the effect of injection molding conditions on material properties. Mold temperature was the process factor that most affected polyamide 6 and polyamide 6/nano‐calcium carbonate properties. Increasing this parameter increased density, impact strength, flexural strength, flexural modulus, and heat deflection temperature. The nanocomposite's degree of crystallinity, tensile modulus, and melt flow index also increased. High injection velocity reduced only the impact strength of the nanocomposite. The findings indicate that by modifying injection parameters, it is possible to improve mechanical properties and processing efficiency of polyamide 6 and its nanocomposites, bringing them closer to their maximum potential. Incorporating the nanofiller increased almost all properties except for impact strength and elongation at break. Nano‐calcium carbonate provided considerable advantages to polyamide 6 mechanical performance and processability while increasing sample weight by only 1.5%.
Nanohybrid emulsions stabilized with calcium phosphate oligomers prepared by self‐emulsification technology for ultra‐high abrasion resistance coating
Authors: Gao Shasha , Wu Lin , Luo Jing , Jiang Yijun
Published: May 2023

Polyethylene waxes are low molecular weight polyolefin synthetic waxes with outstanding mechanical properties, lubricating performance, and chemical stability, which are widely used in various industrial fields. The nonpolar nature of polyethylene waxes leads to low surface energy and poor compatibility with polar materials, which limits their development applications. Therefore, developing composites with better mechanical properties is essential to overcome this drawback. In this work, calcium phosphate oligomers (CPO) are employed to stabilize nano‐emulsions of polyethylene wax modified with maleic anhydride. The emulsification of emulsions was investigated under different NaOH dosages, temperatures, emulsification times, and rotational speeds. The prepared emulsions are used as additives in polyurethane coatings and starch slurries. The CPO can reduce the particle size of the nanohybrid emulsions and greatly improve the abrasion resistance of some polymer films as additive agents. The organic and inorganic units were homogeneously combined with properties of a complete and continuous organic–inorganic network. The emulsions exhibit ultra‐high abrasion resistance when applied to polyurethane coatings and starch pastes, broadening their range of applications.
Non‐autistic adults can recognize posed autistic facial expressions: Implications for internal representations of emotion
Authors: Lampi Andrew J. , Brewer Rebecca , Bird Geoffrey , Jaswal Vikram K.
Published: May 2023

Autistic people report that their emotional expressions are sometimes misunderstood by non‐autistic people. One explanation for these misunderstandings could be that the two neurotypes have different internal representations of emotion: Perhaps they have different expectations about what a facial expression showing a particular emotion looks like. In three well‐powered studies with non‐autistic college students in the United States (total N = 632), we investigated this possibility. In Study 1, participants recognized most facial expressions posed by autistic individuals more accurately than those posed by non‐autistic individuals. Study 2 showed that one reason the autistic expressions were recognized more accurately was because they were better and more intense examples of the intended expressions than the non‐autistic expressions. In Study 3, we used a set of expressions created by autistic and non‐autistic individuals who could see their faces as they made the expressions, which could allow them to explicitly match the expression they produced with their internal representation of that emotional expression. Here, neither autistic expressions nor non‐autistic expressions were consistently recognized more accurately. In short, these findings suggest that differences in internal representations of what emotional expressions look like are unlikely to play a major role in explaining why non‐autistic people sometimes misunderstand the emotions autistic people are experiencing.
‘Doing well’ and ‘being well’—secondary school teachers’ perspectives
Authors: Wilson Rosanna , Sellman Edward , Joseph Stephen
Published: May 2023

The mental health and wellbeing of young people is increasingly a concern in schools. This study explores how English secondary school teachers perceive and engage with the concept of wellbeing. By asking teachers to reflect on their practice, we can draw out their relational experience and knowledge about wellbeing in the classroom. Twenty teachers were interviewed about their practice in the context of the Covid‐19 pandemic and during the academic year 2020–21. Reflexive thematic analysis reveals the challenges experienced by teachers. Specifically, we find a perceived role conflict for teachers between giving care and purveying knowledge. We draw on recent policy research and the work of Nel Noddings to account for this conflict in terms of conceptualisations of teaching practice and purpose. We illustrate how an emphasis within schools on ‘doing well’ academically undermines and marginalises a more holistic sense of ‘being well’, which contributes to a set of strains on teachers personally, professionally and relationally in terms of their interactions with students and colleagues. We propose that ‘doing well’ arises out of ‘being well’, rather than the converse, and should hence be an educational policy priority. Finally, we offer implications for how wellbeing may be woven into school culture.
Große Tragreserven bei Einzellasten auf CPC‐Platten
Authors: Rusch Mona , Lowiner Christian , Kurath Josef
Published: May 2023

CPC (Carbon Prestressed Concrete)‐Platten sind mit Carbonfasersträngen armiert und vorgespannt. Diese neuentwickelten Platten sind bei gleicher Biegetragfähigkeit deutlich schlanker als herkömmliche Stahlbetonplatten. Dadurch werden das Gewicht und der Materialverbrauch gegenüber herkömmlichen Stahlbetonlösungen deutlich reduziert. Die Tragwirkung von CPC‐Platten ist analog derjenigen von vorgespanntem Stahlbeton. Die Bemessung erfolgt anhand der bauaufsichtlichen Zulassung Z‐71.3‐42 des Deutschen Instituts für Bautechnik. Insbesondere bei Brückenbelägen wird rechnerisch häufig der Nachweis der Einzellast (Unterhaltsfahrzeug) maßgebend. In diversen Versuchen an der TU Graz sowie an der Zürcher Hochschule für Angewandte Wissenschaften (ZHAW) konnte gezeigt werden, dass die Einzellasten deutlich besser abgetragen werden können, als in der Zulassung rechnerisch angesetzt. Die mitwirkende Breite spielt dabei eine entscheidende Rolle.
The interaction between enhancer variants and environmental factors as an overlooked aetiological paradigm in human complex disease
Authors: Robert Sarah , Rada‐Iglesias Alvaro
Published: May 2023

The interactions between genetic and environmental risk factors contribute to the aetiology of complex human diseases. Genome‐wide association studies (GWAS) have revealed that most of the genetic variants associated with complex diseases are located in the non‐coding part of the genome, preferentially within enhancers. Enhancers are distal cis‐regulatory elements composed of clusters of transcription factors binding sites that positively regulate the expression of their target genes. The generation of genome‐wide maps for histone marks (e.g., H3K27ac), chromatin accessibility and transcription factor and coactivator (e.g., p300) binding profiles have enabled the identification of enhancers across many human cell types and tissues. Nonetheless, the functional and pathological consequences of the majority of disease‐associated genetic variants located within enhancers seem to be rather minor under normal conditions, thus questioning their medical relevance. Here we propose that, due to the prevalence of enhancer redundancy, the pathological effects of many disease‐associated non‐coding genetic variants might be preferentially (or even only) manifested under environmental stress.
Static headspace gas chromatography–mass spectrometry for volatile organic compounds in bovine milk samples
Authors: Kwon Dokyung , Lee Eunbi , Nguyen Huu‐Quang , Jang Hanbyeol , Kim Jeongkwon
Published: May 2023

Volatile organic compounds (VOCs) provide insight into the taste and aroma of milk. VOCs in milk are typically analyzed using headspace gas chromatography–mass spectrometry (GC‐MS). While static headspace GC‐MS is a simple and widely applicable analytical technique for the analysis of VOCs in various samples, it has not been frequently applied to milk samples. In this study, static headspace GC‐MS was used to compare the VOCs of three different brands of commercial milk. Three components were identified in the samples, that is, acetone, toluene, and 2‐heptanone, where the concentration ranges of acetone, toluene, and 2‐heptanone in the milk samples were 2.284–3.256, 0.028–0.178, and 0.014–0.020 μg/mL, respectively. A literature review found that all three components were previously reported in milk, while toluene and 2‐heptanone were newly identified using headspace GC‐MS in this study.
Educational interactive virtual strain and consolidation tests using LabVIEW and Arduino Uno microcontroller
Authors: Allawi Faridoun A. M.
Published: May 2023

The main objectives of this research are to derive a modified retardation time parameter of the Kelvin model in terms of the coefficient of consolidation of the 1D‐consolidation equation and to design and implement an educational LabVIEW program linked with Arduino‐Uno microcontroller as data acquisition devices for practical verification of the results inside the classroom. Consolidation coefficients of the derived equation decrease with increasing retardation time parameters of the Kelvin model. The regression module of the educational program shows a negative power of fit with an MSE of (0.134), and a 1:1 scatter plot between the derived equation and the 1D‐consolidation equation, indicating a complete fit between both equations. The derived negative power fit equation of the educational program has led to a new expression of the stress ratio of the dashpot unit of the Kevin model. The altered Kelvin dashpot stress ratio is verified experimentally using a resistance‐capacitance (RC) circuit connected to the microcontroller and linked with the educational program. The RC circuit, Arduino‐Uno, and the LabVIEW educational program are “useful” tools in teaching the rheology of soil mechanics inside the classroom. The practicality of the RC circuit for simulating the rheology of soil mechanics inside the classroom enhances the student's understanding and improves their standards in the rheology of soil mechanics.
Bacillinaphthin A: A New Naphthohydroquinone from the Endophyte Bacillus subtilis NPROOT3
Authors: Kumar Pankaj , Nalli Yedukondalu , Dhimmar Asmita , Singh Sanju , Ghadge Vishal A. , Sahastrabudhe Harshal , Gajjar Apexa , Shinde Pramod B.
Published: May 2023

The present study explores the endophyte associated with the halophyte Salicornia brachiata for uncovering new biologically important compounds. Thus, HPLC‐PDA guided chemical investigation of the ethyl acetate extract of the Bacillus subtilis NPROOT3 led to the isolation of a new compound named bacillinaphthin A (1) along with previously known rubinaphthin A (2). The structure of 2 was determined by a comparison of HR‐ESI‐MS, 1H and 13C nuclear magnetic resonances (NMR) with those of reported data, whereas the structure of new compound 1 was elucidated by interpretation of 1D‐ and 2D‐NMR and MS data. Bacillinaphthin (1) and rubinaphthin (2) feature 1,4‐dihydroxy‐2‐naphthoic acid derivatives which have been isolated herein for the first time from the genus Bacillus. Bacillinaphthin (1) is a new congener of 2 with an additional succinic acid side chain attached to the sugar moiety. Production of succinoglycan compounds was reported to regulate symbiosis, hence the isolation of 1 exhibits an example of chemical ecology between the halophyte and its endophyte. In silico tools were used to assess the bioactive potential of both isolated molecules.
Date Seeds (Phoenix dactylifera): Antioxidant Potential and Profile of Free and Bound Polyphenols from Different Cultivars
Authors: Bettaieb Imen , Ali Benabderrahim Mohamed , Rodríguez Arcos Rocío , Jose Jiménez Araujo Ana , Elfalleh Walid
Published: May 2023

In this study, the antioxidant activities and detailed phenolic profiling of extracts from seven cultivars of date seeds were investigated. Significant differences were detected among cultivars. Total phenolic content (TP) ranged between 135.9±12.1 and 284.86±21.9 mg GAE/g DM. The total flavonoid value varied between 34.20±0.34 and 94.46±1.04 mg RE/g DM. The condensed tannin ranged from 24.17±1.13 to 201.60±9.95 mg CTE/g DM. Phloroglucinolysis was used to depolymerize the bound polyphenols. Results show the presence of phenolic acids: Hydroxybenzoic acid, hydroxycinnamic acid, and a high amount of flavan‐3ols (monomers, dimers, and trimers). Before depolymerization, the highest amount of total polyphenols was identified in Kenta (8.48 g/kg) and the lowest was detected in Hessa (4.74 g/kg). After depolymerization, the flavan‐3‐ols increased significantly, ranging between 46.91g/kg in Hessa and 72.38 g/kg in Deglet Nour, with a high degree of polymerization (DP) in all cultivars. It can be concluded that date seeds represent a good source of bioactive compounds.
Efficient Production of 3‐Amino‐2‐Hydroxy Acetophenone by Multi‐Enzyme Biosynthesis
Authors: Tang Heng , Zhu Hong‐Li , Zhong Jin‐Xing , Wang Meng‐Nan , Xue Ya‐Ping , Zheng Yu‐Guo
Published: May 2023

We developed a synthetic route for producing 3‐amino‐2‐hydroxy acetophenone (3AHAP) from m‐nitroacetophenone (3NAP) using an in vitro approach. Various reaction systems were evaluated, and a direct reaction method with crude enzyme and supersaturated substrates for optimal catalytic efficiency was chosen. The reaction system included three enzymes and was enhanced by adjusting enzyme molar ratios and optimizing ribosomal binding sites. We performed substrate docking and alanine scanning to identify key sites in the enzymes nitrobenzene nitroreductase (nbzA) and hydroxylaminobenzene mutase (habA). The optimal mutant was obtained through site‐directed mutagenesis, and incorporated into the reaction system, resulting in increased product yield. After optimization, the yield of 3AHAP increased from 75 mg/L to 580 mg/L within 5 hours, the highest reported yield using biosynthesis. This work provides a promising strategy for the efficient and sustainable production of 3AHAP, which has critical applications in the chemical and pharmaceutical industries.
A Sustainable Approach to Selective Hydrogenation of Unsaturated Esters and Aldehydes with Ruthenium Catalysts
Authors: Passos Lucas H. R. , Martínez‐Agramunt Víctor , Gusev Dmitry G. , Peris Eduardo , dos Santos Eduardo N.
Published: May 2023

The reduction of esters and aldehydes to alcohols is an important reaction in the chemical industry to produce a wide range of bulk and fine chemicals. Herein, the unexpected behavior of three state‐of‐the‐art, commercially available Ru‐catalysts for the hydrogenation of these feedstocks is reported. For ester and aldehydes containing a C=C bond, it was possible to carry out the selective hydrogenation of the ester or aldehyde functionality while keeping the C=C double‐bond essentially untouched. Furthermore, it is demonstrated that these substrates can be reduced under very mild reaction conditions (as low as 40 °C and 5 bar of H2) and that anisole, a solvent with a high sustainability rank, is suitable for these catalytic hydrogenations.
Lithium‐Ion Batteries Containing Surfactants for the Protection of Graphite Anode against the Passivation Layer Byproducts
Authors: Chrétien Fabien , Nikiforidis Georgios , Damas Christine , Anouti Mérièm
Published: May 2023

The electrolyte is an essential component of all electrochemical devices, including lithium‐ion batteries (LIBs). During the initial charging process, a portion of the electrolyte (usually a mixture of organic solvents and lithium salts) decomposes at the anode surface, forming a thin layer of solid electrolyte interface (SEI). This study examines the physicochemical properties of three surfactants: lithium dodecyl sulfate (LiDS), polyoxyethylene ether Forafac 1110D (LiF1110), and lithium perfluoro octanesulfonate Forafac 1185D (LiFOS). Initially, their thermal properties (surface tension and contact angle) are determined. Then, electrochemical tests (cyclic voltammetry, galvanostatic charge‐discharge cycling, and electrochemical impedance spectroscopy) followed by ex‐situ X‐ray photoelectron spectroscopy (XPS) measurements on the graphite anodes in a standard electrolyte ethylene carbonate/propylene carbonate/3 dimethyl carbonate +1 mol L−1 LiPF6 are conducted to compare the surfactants′ action according to their chemical structure, as well as their effect on the interface properties of the formed SEI. The results indicate that surfactants improve electrode interfaces due to their amphiphilic character, preventing the harmful effects of passivation layer salts (LiF, LiOH, Li2O, etc.) that deposit on the graphite interfaces. The three surfactants affect the cycling behavior and performance of the half‐cells differently depending on their ionic or nonionic nature and the polarity or non‐polarity of the salt (e. g., lithium fluoride LiF, lithium oxide Li2O), with LiF1110 demonstrating the best performance.
Merger of Rotation Restriction and Symmetrical Push‐Pull to Synthesize Single‐Benzene Yellow Fluorophores
Authors: Wang Zimo , Horiguchi Genki , Kamiya Hidehiro , Okada Yohei
Published: May 2023

Small yet brightly emitting fluorophores should find fundamental and practical applications in both academic and industrial settings. In this report, tetrahydrobenzodifuran is used as the core architecture to create novel single‐benzene fluorophores. The key for realizing unique and powerful photophysical properties is the combination of the construction of symmetrical push‐pull motifs and the restriction of bond rotations to suppress molecular motions that cause non‐radiative transitions.
Synthesis, Characterization and in vitro Anticancer Evaluation of 5‐Sulfinyl(sulfonyl)‐4‐arylsulfonyl‐Substituted 1,3‐Oxazoles
Authors: Zyabrev Vladimir , Pilyo Stepan , Demydchuk Bohdan , Kachaeva Maryna , Semenyuta Ivan , Zhirnov Victor , Velihina Yevheniia , Brovarets Volodymyr
Published: May 2023

A novel series of 5‐sulfinyl(sulfonyl)‐4‐arylsulfonyl‐substituted 1,3‐oxazoles has been synthesized, characterized and subjected to NCI in vitro assessment. Cancer cell lines of all subpanels were most sensitive to 2‐{[4‐[(4‐fluorophenyl)sulfonyl]‐2‐(2‐furyl)‐1,3‐oxazol‐5‐yl]sulfinyl}acetamide (3 l). Its antiproliferative and cytotoxic activity averaged over each subpanel was manifested in a very narrow range of concentrations (GI50: 1.64–1.86 μM, TGI: 3.16–3.81 μM and LC50: 5.53–7.27 μM), i. e. practically did not depend on the origin of the cancer cell line. The COMPARE matrix using TGI vector showed a high positive correlation of 3 l (r=0.88) with the intercalating agent aclarubicin, which inhibits topoisomerases. The absence in the database of standard agents that have a high correlation with the cytotoxicity of this compound suggests that it may have a unique mechanism of action. According to the results of the docking analysis, the most promising anticancer target for compound 3 l is DNA topoisomerase IIβ. The obtained results indicate the anticancer activity of 5‐sulfinyl(sulfonyl)‐4‐arylsulfonyl‐substituted 1,3‐oxazoles, which may be useful for the development of new anticancer drugs. 2‐{[4‐[(4‐Fluorophenyl)sulfonyl]‐2‐(2‐furyl)‐1,3‐oxazol‐5‐yl]sulfinyl}acetamide (3 l), as the most active, can be recommended for further in‐depth studies.
Raising awareness of TBC1 domain‐containing kinase (TBCK) epileptic encephalopathy among Puerto Rican children
Authors: De Luca‐Ramirez Johanna , Rosado Fernández Sofia , Torres Orlando A.
Published: May 2023

Background

TBC1 domain‐containing kinase (TBCK) syndrome is a rare autosomal recessive genetic disorder that presents with infantile hypotonia, intellectual disability, motor impairment, and drug‐resistant epilepsy. The abnormal TBCK protein alters the mammalian target of rapamycin complex 1 (mTORC1), leading to accumulation of autophagic vesicles within fibroblasts. Thirty‐five previously reported individuals with TBCK were identified.

Methods

We present four children with TBCK due to the p.R126X (p.ARG126*) mutation, a variant predominating among children of Puerto Rican descent. This mutation has been associated with TBCK‐encephaloneuropathy or Boricua syndrome.

Discussion

These four of our patients were diagnosed within a span of 6 months, suggesting that the prevalence of the syndrome could be higher than expected among individuals from Puerto Rico. We believe this finding was largely due to the increasing availability and affordability of modern genetic testing in Puerto Rico, illustrating the importance of equitable access to genetic testing to all pediatric patients with similar symptomatology. Prompt diagnosis facilitates appropriate medical management and prognosis counseling.
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature
Authors: Geagea Elie , Hamadeh Ali , Jeannoutot Judicaël , Palmino Frank , Breault Nicolas , Rochefort Alain , Hajjar‐Garreau Samar , Pirri Carmelo , Thomas Christophe M. , Chérioux Frédéric
Published: May 2023

We demonstrate that the strong N2 bond can be efficiently dissociated at low pressure and ambient temperature on a Si(111)‐7x7 surface. The reaction was experimentally investigated by scanning tunnelling microscopy and X‐ray photoemission spectroscopy. Experimental and density functional theory results suggest that relatively low thermal energy collision of N2 with the surface can facilitate electron transfer from the Si(111)‐7x7 surface to the π*‐antibonding orbitals of N2 that significantly weaken the N2 bond. This activated N2 triple bond dissociation on the surface leads to the formation of a Si3N interface.
Replacing Toxic Tall Fescue With a Nontoxic Forage
Authors: Roberts Craig , Andrae John
Published: May 2023

Tall fescue is among the most popular cool‐season pasture grasses in the United States and is widely grown in other countries with temperate climates. In the United States, nearly all tall fescue pastures planted before 1980 are infected with Epichloë coenophialum, a microscopic fungus. The common strain of this fungus produces toxins called “ergot alkaloids,” such as ergovaline. These ergot alkaloids cause fescue toxicosis, a severe livestock disorder that costs U.S. livestock producers at least $1 billion each year. At present, there is no medical cure for fescue toxicosis. There are, however, proven management strategies that lessen the effect of toxicosis. One is the replacement of toxic tall fescue with varieties that are endophyte‐free or contain novel endophytes. Earn 1 CEU in Integrated Pest Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
Comparison of Integrated Crop Rotation Systems in Western Canada
Authors: Strydhorst Sheri , Liu Kui
Published: May 2023

Research has shown the benefits of diversifying crop rotations, yet many Prairie farmers keep their rotations short and simple with cereals and oilseeds or cereals and pulses being intensively grown in two‐year rotations. As western Canadian farms are pressed to increase yields while reducing inputs and the environmental impact of food production, growers need help to determine what crop rotations can help them achieve these goals and remain economically viable. This article reports on research evaluating yield and yield stability, nitrogen use efficiency, and net economic returns of six crop rotations in the Southern Prairies, Northern Prairies, and Red River Valley ecozones of western Canada. Earn 0.5 CEUs in Crop Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
Roles of acyl‐coenzyme A synthetase family members in airway epithelia cells
Authors: Zhang Linlin , Liu Xuanqi , Li Liyang , Zhu Bijun , Chen Zhihong , Hou Jiayun , Song Yuanlin , Wang Xiangdong
Published: May 2023

Background

The fundamental initial step in the metabolic process of fatty acids (FA) is facilitated by Acyl‐coenzyme A synthetase (ACS). ACS enables FAs to engage in both anabolic and catabolic pathways by creating thioester bonds with CoA, thus triggering their activation. This paper demonstrated the effect of in vitro cells on the ACS family of key enzymes in FA metabolism in response to inflammatory or lipid stimulating factors and provided insight into the relevant metabolic mechanisms.

Methods

The expression levels of 27 ACS family members were assessed across various lung epithelial cell lines, such as HBE, SPC‐1A, or NCI‐H460, in response to external challenges including lipopolysaccharide (LPS), lysophosphatidylcholine (lysoPC), cigarette smoking extract (CSE), cholesterol, and interference with the ACSL5 gene in response to FASN, CPT1A inhibitors.

Results

Our data showed that ACSF2 was highly expressed in SPC‐A1 and NCI‐H460 cells compared with HBE cell, while ACSL4 and ACSVL4 were lower expressed. The 27 ACS family genes associated with FA metabolism varied under several different exogenous stimuli.
Cytomorphologic observations on the sclerosing variant of well‐differentiated pancreatic neuroendocrine tumors: Towards making specific diagnoses early
Authors: McKenzie David , Chen Wei , Shi Chanjuan , Pendse Avani A.
Published: May 2023

Background

The recently described sclerosing variant of pancreatic neuroendocrine tumor (spNET) shows prominent stromal fibrosis and decreased tumor cellularity in surgical pathology specimens. Although prognostic data are currently ambivalent, some studies have reported metastatic disease in small primary tumors, highlighting the need for early diagnosis. The aim of our study is to evaluate cytology specimens of spNET to determine its characteristic cytomorphologic features to expedite an early diagnosis.

Methods

Twenty‐five cytology cases of spNET from 23 patients and 29 cytology cases of typical pancreatic neuroendocrine tumor (tpNET) from 29 patients diagnosed as such by surgical pathology evaluation were reviewed by two pathologists to assess adequacy of diagnostic material, cellularity and fibrosis. Radiographic findings and outcome data were collected.

Results

With only 13 of 25 specimens deemed as diagnostic, spNET specimens were more often non‐diagnostic (p < .01) and less often hypercellular (p = .03) compared to tpNET counterparts. While at least focal fibrosis was observed in both groups, a subset of spNET cases showed small tumor cell groups entrapped in large fibrotic fragments. Importantly, spNETs tended to be metastatic at diagnosis (both regionally and distant), with a smaller average tumor size.

Conclusion

The hypocellular nature of spNET cytology samples makes this variant difficult to diagnose. However, when adequate sample is available, a subset of spNET show characteristic cytomorphology that enables us to consider this specific diagnosis at first diagnostic sampling. It is crucial to diagnose this variant early given the propensity of small tumors with regional lymph node involvement and liver metastases.
Recent Progress and Regulation Strategies of Layered Materials as Cathode of Aqueous Zinc‐Ion Batteries
Authors: Yuan Yuan , Wu Si , Song Xiaoxue , Lee Jin Yong , Kang Baotao
Published: May 2023

Aqueous zinc‐ion batteries (ZIBs) have shown great potential in the fields of wearable devices, consumer electronics, and electric vehicles due to their high level of safety, low cost, and multiple electron transfer. The layered cathode materials of ZIBs hold a stable structure during charge and discharge reactions owing to the ultrafast and straightforward (de)intercalation‐type storage mechanism of Zn2+ ions in their tunable interlayer spacing and their abilities to accommodate other guest ions or molecules. Nevertheless, the challenges of inadequate energy density, dissolution of active materials, uncontrollable byproducts, increased internal pressure, and a large de‐solvation penalty have been deemed an obstacle to the development of ZIBs. In this review, recent strategies on the structure regulation of layered materials for aqueous zinc‐ion energy storage devices are systematically summarized. Finally, critical science challenges and future outlooks are proposed to guide and promote the development of advanced cathode materials for ZIBs.