bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanochemistry‐Amended Barbier Reaction as an Expedient Alternative to Grignard Synthesis**
Authors: Varma Nallaparaju Jagadeesh , Nikonovich Tatsiana , Jarg Tatsiana , Merzhyievskyi Danylo , Aav Riina , Kananovich Dzmitry G. 
Published: June 2023

AbstractOrganomagnesium halides (Grignard reagents) are essential carbanionic building blocks widely used in carbon‐carbon and carbon‐heteroatom bond‐forming reactions with various electrophiles. In the Barbier variant of the Grignard synthesis, the generation of air‐ and moisture‐sensitive Grignard reagents occurs concurrently with their reaction with an electrophile. Although operationally simpler, the classic Barbier approach suffers from low yields due to multiple side reactions, thereby limiting the scope of its application. Here, we report a mechanochemical adaptation of the Mg‐mediated Barbier reaction, which overcomes these limitations and facilitates the coupling of versatile organic halides (e.g., allylic, vinylic, aromatic, aliphatic) with a diverse range of electrophilic substrates (e.g., aromatic aldehydes, ketones, esters, amides, O‐benzoyl hydroxylamine, chlorosilane, borate ester) to assemble C−C, C−N, C−Si, and C−B bonds. The mechanochemical approach has the advantage of being essentially solvent‐free, operationally simple, immune to air, and surprisingly tolerant to water and some weak Brønsted acids. Notably, solid ammonium chloride was found to improve yields in the reactions of ketones. Mechanistic studies have clarified the role of mechanochemistry in the process, indicating the generation of transient organometallics facilitated by improved mass transfer and activation of the surface of magnesium metal.
Benzidine Derivatives: A Class of High Redox Potential Molecules for Aqueous Organic Flow Batteries
Authors: Liu Xianghui , Li Tianyu , Zhang Changkun , Li Xianfeng 
Published: June 2023

AbstractThe development of water‐soluble redox‐active molecules with high potentials is one of the effective ways to enhance the energy density of aqueous organic flow batteries (AOFBs). Herein, a series of promising N‐substituted benzidine analogues as water‐soluble catholyte candidates with controllable redox potentials (0.78–1.01 V vs. standard hydrogen electrode (SHE)) were obtained by the molecular engineering of aqueous irreversible benzidines. Theoretical calculations reveal that the redox potentials of these benzidine derivatives in acidic solution are determined by their electronic structure and alkalinity. Among these benzidine derivatives, N,N,N′,N′‐tetraethylbenzidine(TEB) shows both high redox potential (0.82 V vs. SHE) and good solubility (1.1 M). Pairing with H4[Si(W3O10)4] anolyte, the cell displayed discharge capacity retention of 99.4 % per cycle and a high coulombic efficiency (CE) of ∼100 % over 1200 cycles. The stable discharge capacity of 41.8 Ah L−1 was achieved at the 1.0 M TEB catholyte with a CE of 97.2 % and energy efficiency (EE) of 91.2 %, demonstrating that N‐substituted benzidines could be promising for AOFBs.
Contamination of the central medical air supply with water leading to mass ventilator failure
Authors: Chia J. J. X. , Goh M. H. , Goh M. M. , Teo C. W. S. , Tan K. H. , Sewa D. W. , Ng H. F. 
Published: June 2023

SummaryHere, we present a case of mass ventilator failure due to contaminated medical air. Multiple ventilators failed routine tests, including almost all of the ventilators in our intensive care unit. A faulty air compressor had led to water contamination of our centre's supply of medical air. Water entered the pipeline supply of air and, hence the ventilators and anaesthetic machines. The disruption of the machines' proportional mixer valve resulted in unreliable delivery of fresh gas flow. This malfunction was discovered during routine pre‐use checks, and backup ventilators were available to replace the faulty ventilators. A shortage of equipment was averted due to a serendipitous availability of ventilator stockpiles prepared for the COVID‐19 pandemic. Ventilator shortages are commonly described in mass casualty and pandemic scenarios. While there are multiple strategies described in literature to augment and maximise equipment available for mechanical ventilation, stockpiling equipment remains an expensive but necessary component of disaster contingency planning.
Microcellular injection molding of foamed engineering plastic parts with high dimensional accuracy
Authors: Feng Yu‐Teng , Zhan Haiying , Mi Hao‐Yang , Antwi‐Afari Maxwell Fordjour , Chen Youfu , Gu Laifa , Dong Binbin , Liu Chuntai , Shen Changyu 
Published: June 2023

AbstractPolyformaldehyde (POM) and Polyamide 66 (PA66) are engineering plastics with excellent mechanical properties and thermal stability. Producing microcellular injection molded POM and PA66 parts with high dimensional accuracy would be beneficial to reduce material cost and product quality. In this research, foamed POM and PA66 gear parts were fabricated by using microcellular injection molding with supercritical nitrogen as the blowing agent. Compared to conventional injection molded parts (parts that foaming is not involved), the foamed POM and PA66 gear parts achieved 5% and 10% average weight reduction, respectively. The foamed parts displayed a lower shrinkage ratio when compared to the solid counterparts, which was attributed to the cell expansion that offset part of the inward shrinkage stress. Moreover, POM gear parts with a higher crystallinity degree presented more serious shrinkage ratio compared to the PA66 gear parts, which contributed to the denser polymer molecular chains arrangement. The shrinkage ratio in both directions of PA66 foamed gear parts depended on the injection volume, and the lowest shrinkage ratio of 0.043‰ was obtained at the injection volume of 74 mm, when the polymer reached the maximum foaming ratio. The findings from this study could provide practical guidance for preparing microcellular injection molded products with high dimensional accuracy.
Influences of processing conditions on gradient structures in injection‐molded polyethylene caps and their property correlations
Authors: Rungswang Wonchalerm , Nantasetphong Wiroj , Jarumaneeroj Chatchai , Makkaroon Bharanabha , Juabrum Sawitree , Kaewsuwan Dechmongkhon , Soontaranon Siriwat , Rugmai Supagorn 
Published: June 2023

AbstractIn this study, the influences of processing conditions, that is, injection speed and holding pressure, on the gradient crystal structural formation in the injection‐molded cap specimens were investigated. Skin‐, shear‐ and core‐layers across the specimen thickness were investigated in detail by using small‐angle x‐ray scattering, wide‐angle x‐ray diffraction, and atomic force microscopy techniques. The results showed that high holding pressure caused high density and large weight of the cap specimens. This strongly contributed to high displacement resistant on applied pressure (doming resistant), while the lamellar thickness (Lc) of the skin layer also played a role. On the contrary, low holding pressure promoted the formation of the random‐oriented lamellae in the core layer, which contributed to high environmental cracking resistance (ESCR). Moreover, the lower injection speed caused the thicker Lc of the skin layer, and this improved the ESCR of the specimen. The results allowed us to propose its failure mechanism.
Metabolomics and Machine Learning Identify Metabolic Differences and Potential Biomarkers for Frequent Versus Infrequent Gout Flares
Authors: Wang Ming , Li Rui , Qi Han , Pang Lei , Cui Lingling , Liu Zhen , Lu Jie , Wang Rong , Hu Shuhui , Liang Ningning , Tao Yongzhen , Dalbeth Nicola , Merriman Tony R. , Terkeltaub Robert , Yin Huiyong , Li Changgui 
Published: June 2023

ObjectiveThe objective of this study was to discover differential metabolites and pathways underlying infrequent gout flares (InGF) and frequent gout flares (FrGF) using metabolomics and to establish a predictive model by machine learning (ML) algorithms.MethodsSerum samples from a discovery cohort of 163 patients with InGF and 239 patients with FrGF were analyzed by mass spectrometry–based untargeted metabolomics to profile differential metabolites and explore dysregulated metabolic pathways using pathway enrichment analysis and network propagation–based algorithms. ML algorithms were performed to establish a predictive model based on selected metabolites, which was further optimized by a quantitative targeted metabolomics method and validated in an independent validation cohort with 97 participants with InGF and 139 participants with FrGF.ResultsA total of 439 differential metabolites between InGF and FrGF groups were identified. Top dysregulated pathways included carbohydrates, amino acids, bile acids, and nucleotide metabolism. Subnetworks with maximum disturbances in the global metabolic networks featured cross‐talk between purine metabolism and caffeine metabolism, as well as interactions among pathways involving primary bile acid biosynthesis, taurine and hypotaurine metabolism, alanine, aspartate, and glutamate metabolism, suggesting epigenetic modifications and gut microbiome in metabolic alterations underlying InGF and FrGF. Potential metabolite biomarkers were identified using ML‐based multivariable selection and further validated by targeted metabolomics. Area under receiver operating characteristics curve for differentiating InGF and FrGF achieved 0.88 and 0.67 for the discovery and validation cohorts, respectively.ConclusionSystematic metabolic alterations underlie InGF and FrGF, and distinct profiles are associated with differences in gout flare frequencies. Predictive modeling based on selected metabolites from metabolomics can differentiate InGF and FrGF.
Terminal sliding mode fault‐tolerant control for aviation redundant hydraulic actuation system based on robust fault reconstruction
Authors: Li Ting , Yang Ting , Cao Yuyan , Li Yang , Wang Xinmin 
Published: June 2023

AbstractThis paper investigates the fault‐tolerant control problem for a dual‐redundant hydraulic actuation system on active/active (A/A) mode subject to servovalve leakage and disturbances. The change in system dynamics caused by servovalve leakage is modeled as an additive time‐varying fault. Then, an enhanced iterative learning observer with improved robustness against abrupt unknown input is designed for fault reconstruction. In view of the high relative degree of the plant, an auxiliary variable is adopted to facilitate the controller design. Combined with the fault reconstruction results, an adaptive continuous nonsingular fast terminal sliding mode (NFTSM) fault‐tolerant controller is developed, in which an NFTSM manifold is constructed based on the auxiliary variable to achieve fast convergence of trajectory tracking errors. An adaptive continuous reaching law with less chattering is designed to compensate for the influence of the lumped disturbance. Lyapunov stability analysis demonstrates that this method can ensure finite‐time convergence of sliding variable and can guarantee the trajectory tracking errors converge to the neighborhood of the origin exponentially. Finally, the effectiveness of the proposed method is verified through a comparative simulation study.
Cell membrane biomimetic nanoparticles in drug delivery
Authors: Mohammad‐Rafiei Fatemeh , Khojini Javad Yaghmoorian , Ghazvinian Fatemeh , Alimardan Sajad , Norioun Hamid , Tahershamsi Zahra , Tajbakhsh Amir , Gheibihayat Seyed Mohammad 
Published: June 2023

AbstractDespite the efficiency of nanoparticle (NP) therapy, in vivo investigations have shown that it does not perform as well as in vitro. In this case, NP confronts many defensive hurdles once they enter the body. The delivery of NP to sick tissue is inhibited by these immune‐mediated clearance mechanisms. Hence, using a cell membrane to hide NP for active distribution offers up a new path for focused treatment. These NPs are better able to reach the disease's target location, leading to enhanced therapeutic efficacy. In this emerging class of drug delivery vehicles, the inherent relation between the NPs and the biological components obtained from the human body was utilized, which mimic the properties and activities of native cells. This new technology has shown the viability of using biomimicry to evade immune system‐provided biological barriers, with an emphasis on restricting clearance from the body before reaching its intended target. Furthermore, by providing signaling cues and transplanted biological components that favorably change the intrinsic immune response at the disease site, the NPs would be capable interacting with immune cells regarding the biomimetic method. Thus, we aimed to provide a current landscape and future trends of biomimetic NPs in drug delivery.
Time‐dependent sorption behavior of lentiviral vectors during anion‐exchange chromatography
Authors: Pamenter George , Davies Lee , Knevelman Carol , Miskin James , Mitrophanous Kyriacos , Dikicioglu Duygu , Bracewell Daniel G. 
Published: June 2023

AbstractUse of lentiviral vectors (LVs) in clinical Cell and Gene Therapy applications is growing. However, functional product loss during capture chromatography, typically anion‐exchange (AIEX), remains a significant unresolved challenge for the design of economic processes. Despite AIEX's extensive use, variable performance and generally low recovery is reported. This poor understanding of product loss mechanisms highlights a significant gap in our knowledge of LV adsorption and other types of vector delivery systems. This work demonstrates HIV‐1‐LV recovery over quaternary‐amine membrane adsorbents is a function of time in the adsorbed state. Kinetic data for product loss in the column bound state was generated. Fitting a second order‐like rate model, we observed a rapid drop in functional recovery due to increased irreversible binding for vectors encoding two separate transgenes ( = 12.7 and 18.7 min). Upon gradient elution, a two‐peak elution profile implicating the presence of two distinct binding subpopulations is observed. Characterizing the loss kinetics of these two subpopulations showed a higher rate of vector loss in the weaker binding peak. This work highlights time spent in the adsorbed state as a critical factor impacting LV product loss and the need for consideration in LV AIEX process development workflows.
Engineering and characterization of carbohydrate‐binding modules for imaging cellulose fibrils biosynthesis in plant protoplasts
Authors: Jayachandran Dharanidaran , Smith Peter , Irfan Mohammad , Sun Junhong , Yarborough John M. , Bomble Yannick J. , Lam Eric , Chundawat Shishir P. S. 
Published: June 2023

AbstractCarbohydrate binding modules (CBMs) are noncatalytic domains that assist tethered catalytic domains in substrate targeting. CBMs have therefore been used to visualize distinct polysaccharides present in the cell wall of plant cells and tissues. However, most previous studies provide a qualitative analysis of CBM‐polysaccharide interactions, with limited characterization of engineered tandem CBM designs for recognizing polysaccharides like cellulose and limited application of CBM‐based probes to visualize cellulose fibrils synthesis in model plant protoplasts with regenerating cell walls. Here, we examine the dynamic interactions of engineered type‐A CBMs from families 3a and 64 with crystalline cellulose‐I and phosphoric acid swollen cellulose. We generated tandem CBM designs to determine various characteristic properties including binding reversibility toward cellulose‐I using equilibrium binding assays. To compute the adsorption (nkon) and desorption (koff) rate constants of single versus tandem CBM designs toward nanocrystalline cellulose, we employed dynamic kinetic binding assays using quartz crystal microbalance with dissipation. Our results indicate that tandem CBM3a exhibited the highest adsorption rate to cellulose and displayed reversible binding to both crystalline/amorphous cellulose, unlike other CBM designs, making tandem CBM3a better suited for live plant cell wall biosynthesis imaging applications. We used several engineered CBMs to visualize Arabidopsis thaliana protoplasts with regenerated cell walls using confocal laser scanning microscopy and wide‐field fluorescence microscopy. Lastly, we also demonstrated how CBMs as probe reagents can enable in situ visualization of cellulose fibrils during cell wall regeneration in Arabidopsis protoplasts.
Attribute imbalances and innovation implementation based on grounded theory: A case of Chinese enterprises in Gansu Province
Authors: Wang Hui , Jiang Anyin , Ahmad Fayyaz , Abid Nabila , Chandio Abbas Ali 
Published: June 2023

AbstractThe purpose of this study is to explore what are the determinant influencing factors of the dilemma faced by state‐owned enterprises (SOEs) in implementing innovation‐driven development strategy (IDDS), to propose a suitable localized theory. It also suggests specific actions to break the post‐effects dilemma with the support of this theory. Based on the innovation‐driven survey data of provincial SOEs in Gansu Province, this study adopts grounded theory to conduct exploratory research. This paper constructs a behavior process model of “pre‐motivation, innovation path, and post‐effects dilemma” to drive SOE's innovation and expounds on the incidence relation among the three. The results show that the external administrative force and institutional mechanism drive have both indirect and direct impacts on the innovation path choice of SOEs. The endogenous drive is distorted by external administrative force and institutional mechanism drive, leading to the limited innovation path choice and post‐effects dilemma. This paper puts forward the theory of “Attribute Imbalance–Weakened Autonomy–Sluggish Innovation” and explains why it is sometimes difficult to implement the IDDS of SOEs. However, there are some regional limitations in the application scenarios of the theory. Whether it has broader implications need to further explore. Future theoretical testing should be conducted with a sample of SOEs in developed market regions. It is possible to study the differences in the degree of government intervention in SOEs, the ways of intervention, and the impact of these differences on SOEs' balancing dual attribute conflicts.
Network Pharmacology and Molecular Docking Reveal the Mechanism of Corydalis saxicola Bunting Total Alkaloids in Treating Radiation‐Induced Oral Mucositis
Authors: Lai Yiyuan , Yong Xiangzhi , Wei Yongzheng , Wei Shanni , Su Zhiheng , Tao Renchuan 
Published: June 2023

AbstractThe study aims to explore the effect and mechanism of total alkaloids of Corydalis saxicola Bunting (CSBTA) in the treatment of radiation induced oral mucositis (RIOM) through network pharmacology and molecular docking. The components and corresponding targets of Corydalis saxicola Bunting were screened by literature review. RIOM related targets were obtained in GeneCards. Cytoscape software was used to construct the component‐target‐pathway network. Protein‐Protein Interaction (PPI) networks was constructed by String database. GO and KEGG enrichment analyses were performed by Metascape. AutoDock Vina 4.2 software was used for molecular docking. There were 26 components of CSBTA targeting 61 genes related to RIOM. Through Cytoscape and PPI analysis, 15 core target genes of CSBTA for treating RIOM were identified. GO functional analysis indicated that CSBTA might play a role through kinase binding and protein kinase activation. KEGG pathway analysis showed that the core targets of CSBTA were mainly focused on cancer and reactive oxygen species (ROS) pathway. The results of molecular docking showed that CSBTA had strong binding energy with target protein including SRC, AKT and EGFR. The study demonstrates that CSBTA may treat RIOM by affecting SRC, AKT and EGFR through ROS pathway.
Noncovalent Association Thermodynamics of Turn‐On Fluorescent Probes with Human Serum Albumin: Dual‐Concentration Ratio Method
Authors: Chen Han‐Yu , Teng Chung‐Siang , Lin Pin‐Han , Liu Ching‐Ping , Liu Wei‐Min , Chu Li‐Kang 
Published: June 2023

AbstractEfficient quantification of the affinity of a drug and the targeted protein is critical for strategic drug design. Among the various molecules, turn‐on fluorescent probes are the most promising signal transducers to reveal the binding strength and site‐specificity of designed drugs. However, the conventional method of measuring the binding ability of turn‐on fluorescent probes by using the fractional occupancy under the law of mass action is time‐consuming and a massive sample is required. Here, we report a new method, called dual‐concentration ratio method, for quantifying the binding affinity of fluorescent probes and human serum albumin (HSA). Temperature‐dependent fluorescence intensity ratios of a one‐to‐one complex (L ⋅ HSA) for a turn‐on fluorescent probe (L), e. g., ThT (thioflavin T) or DG (dansylglycine), with HSA at two different values of [L]0/[HSA]0 under the constraint [HSA]0>[L]0 were collected. The van't Hoff analysis on these association constants further resulted in the thermodynamic properties. Since only two samples at different [L]0/[HSA]0 are required without the need of [L]0/[HSA]0 at a wide range, the dual‐concentration ratio method is an easy way to greatly reduce the amounts of fluorescent probes and proteins, as well as the acquisition time.
[99m Tc] Tc‐MDP bone SPECT/CT diagnosing unstable slipped capital femoral epiphysis with secondary AVN in a patient with misleading knee pain
Authors: Ebrahimi Marzieh , Ziaee Vahid , Nemati Maryam , Paymani Zeinab 
Published: June 2023

AbstractBone scan is highly sensitive whole‐body imaging with relative low radiation in patients with non‐localized skeletal symptoms. Patient is 12‐year‐old boy with Down syndrome, suffering recent claudication and exacerbated left knee pain unable to walk even with crutches. Three‐dimensional Single photon emission computed tomography/Computed tomography (SPECT/CT) detected left slipped capital femoral epiphysis (SCFE) and secondary Avascular necrosis (AVN).
Highly Selective Conversion of Carbon Dioxide to Methanol through a Cu−ZnO−Al2O3−ZrO2/Cu−MOR Tandem Catalyst
Authors: Wang Yuxin , Wei Yayu , Li Yanhong , Chen Xiaofang , Caro Jürgen , Huang Aisheng 
Published: June 2023

AbstractMethanol formation from CO2 hydrogenation attracts great attention in view of utilization of carbon resources. However, CO2 transformation to methanol is challenging because of the thermodynamic equilibrium restriction and water‐caused catalyst deactivation. It is desired, therefore, to develop highly active, selective and stable catalysts for CO2 hydrogenation to methanol. Herein, we propose a novel tandem catalyst composed of Cu−ZnO−Al2O3−ZrO2 (CZAZ) and Cu−MOR for highly selective conversion of CO2 to methanol. During CO2 hydrogenation by the CZAZ catalyst, the by‐product methane is continuously transformed to methanol through reaction with water via the Cu−MOR catalyst, thus enhancing CO2 conversion and methanol selectivity. Under mild reaction conditions (200 °C and 3.0 MPa), high CO2 conversion (40.7 %) and methanol selectivity (97.6 %) are achieved, outperforming state‐of‐the‐art CO2 hydrogenation catalysts. Further, water‐caused deactivation of the catalyst through aggregation and densification is suppressed owing to water consumption via methane oxidation to methanol, validating a high CZAZ/Cu−MOR tandem catalyst stability.
Dem Regen trotzen
Authors: Hübner Karl 
Published: June 2023

ZusammenfassungVor 200 Jahren begann der Schotte Charles Macintosh, Textilgewebe mit einer Schicht aus Naturkautschuk wasserdicht zu machen und fertigte daraus auch Regenmäntel. Im 20. Jahrhundert sorgten zunehmend Kunststoffe wie PVC oder PU für regenfeste Bekleidung. Seit über 40 Jahren tragen darüber hinaus atmungsaktive Membranen zu neuem Tragekomfort bei. Inzwischen arbeiten Hersteller verstärkt daran, für den Regenschutz möglichst umweltfreundliche und nachhaltige Materialien zu verwenden.