bluuebunny/crossref_metadata_2025 huggingface dataset:
Denoising Autoencoder Normalization for Large-Scale Untargeted Metabolomics by Gas Chromatography–Mass Spectrometry
Authors: Zhang Ying , Fan Sili , Wohlgemuth Gert , Fiehn Oliver
Published: August 2023

Large-scale metabolomics assays are widely used in epidemiology for biomarker discovery and risk assessments. However, systematic errors introduced by instrumental signal drifting pose a big challenge in large-scale assays, especially for derivatization-based gas chromatography–mass spectrometry (GC–MS). Here, we compare the results of different normalization methods for a study with more than 4000 human plasma samples involved in a type 2 diabetes cohort study, in addition to 413 pooled quality control (QC) samples, 413 commercial pooled plasma samples, and a set of 25 stable isotope-labeled internal standards used for every sample. Data acquisition was conducted across 1.2 years, including seven column changes. In total, 413 pooled QC (training) and 413 BioIVT samples (validation) were used for normalization comparisons. Surprisingly, neither internal standards nor sum-based normalizations yielded median precision of less than 30% across all 563 metabolite annotations. While the machine-learning-based SERRF algorithm gave 19% median precision based on the pooled quality control samples, external cross-validation with BioIVT plasma pools yielded a median 34% relative standard deviation (RSD). We developed a new method: systematic error reduction by denoising autoencoder (SERDA). SERDA lowered the median standard deviations of the training QC samples down to 16% RSD, yielding an overall error of 19% RSD when applied to the independent BioIVT validation QC samples. This is the largest study on GC–MS metabolomics ever reported, demonstrating that technical errors can be normalized and handled effectively for this assay. SERDA was further validated on two additional large-scale GC–MS-based human plasma metabolomics studies, confirming the superior performance of SERDA over SERRF or sum normalizations.
Flaxseed Reduces Cancer Risk by Altering Bioenergetic Pathways in Liver: Connecting SAM Biosynthesis to Cellular Energy
Authors: Weston William C. , Hales Karen H. , Hales Dale B.
Published: August 2023

This article illustrates how dietary flaxseed can be used to reduce cancer risk, specifically by attenuating obesity, type 2 diabetes, and non-alcoholic fatty liver disease (NAFLD). We utilize a targeted metabolomics dataset in combination with a reanalysis of past work to investigate the “metabo-bioenergetic” adaptations that occur in White Leghorn laying hens while consuming dietary flaxseed. Recently, we revealed how the anti-vitamin B6 effects of flaxseed augment one-carbon metabolism in a manner that accelerates S-adenosylmethionine (SAM) biosynthesis. Researchers recently showed that accelerated SAM biosynthesis activates the cell’s master energy sensor, AMP-activated protein kinase (AMPK). Our paper provides evidence that flaxseed upregulates mitochondrial fatty acid oxidation and glycolysis in liver, concomitant with the attenuation of lipogenesis and polyamine biosynthesis. Defatted flaxseed likely functions as a metformin homologue by upregulating hepatic glucose uptake and pyruvate flux through the pyruvate dehydrogenase complex (PDC) in laying hens. In contrast, whole flaxseed appears to attenuate liver steatosis and body mass by modifying mitochondrial fatty acid oxidation and lipogenesis. Several acylcarnitine moieties indicate Randle cycle adaptations that protect mitochondria from metabolic overload when hens consume flaxseed. We also discuss a paradoxical finding whereby flaxseed induces the highest glycated hemoglobin percentage (HbA1c%) ever recorded in birds, and we suspect that hyperglycemia is not the cause. In conclusion, flaxseed modifies bioenergetic pathways to attenuate the risk of obesity, type 2 diabetes, and NAFLD, possibly downstream of SAM biosynthesis. These findings, if reproducible in humans, can be used to lower cancer risk within the general population.
Liquid Vibration Energy Harvesting Device Using Ferrofluids
Authors: Hannon Nia , Harrison Christopher W. , Kraśny Marcin J. , Zabek Daniel
Published: August 2023

Mechanical vibrations can be effectively converted into electrical energy using a liquid type of energy harvesting device comprised of a ferrofluid and a permanent magnet-inductor coil assembly. Compared to solid vibration energy harvesting devices, the liquid nature of the ferrofluid overcomes space conformity limitations which allow for the utilization of a wider range of previously inaccessible mechanical vibration energy sources for electricity generation and sensing. This report describes the design and the governing equations for the proposed liquid vibration energy harvesting device and demonstrates vibration energy harvesting at frequencies of up to 33 Hz while generating up to 1.1 mV. The proposed design can continuously convert mechanical into electrical energy for direct discharge or accumulation and storage of electrical energy.
Research Progress on the Application of Triboelectric Nanogenerators for Wind Energy Collection
Authors: Yan Jin , Tang Zhi , Mei Naerduo , Zhang Dapeng , Zhong Yinghao , Sheng Yuxuan
Published: August 2023

The escalating global energy demand necessitates the exploration of renewable energy sources, with wind energy emerging as a crucial and widely available resource. With wind energy exhibiting a vast potential of approximately 1010 kw/a per year, about ten times that of global hydroelectric power generation, its efficient conversion and utilization hold the promise of mitigating the pressing energy crisis and replacing the dominant reliance on fossil fuels. In recent years, Triboelectric Nanogenerators (TENGs) have emerged as novel and efficient means of capturing wind energy. This paper provides a comprehensive summary of the fundamental principles governing four basic working modes of TENGs, elucidating the structures and operational mechanisms of various models employed in wind energy harvesting. Furthermore, it highlights the significance of two major TENG configurations, namely, the vertical touch-separation pattern structure and the independent layer pattern for wind energy collection, emphasizing their respective advantages. Furthermore, the study briefly discusses the current strengths of nano-friction power generation in wind energy harvesting while acknowledging the existing challenges pertaining to device design, durability, operation, and maintenance. The review concludes by presenting potential research directions and prospects for triboelectric nanogenerators generation in the realm of wind energy, offering valuable insights for researchers and scholars in the field.
Very High-Aspect-Ratio Polymeric Micropillars Made by Two-Photon Polymerization
Authors: Kamranikia Keynaz , Dominici Sébastien , Keller Marc , Kube Niklas , Mougin Karine , Spangenberg Arnaud
Published: August 2023

Polymeric micropillars with a high-aspect-ratio (HAR) are of interest for a wide range of applications, including drug delivery and the micro-electro-mechanical field. While molding is the most common method for fabricating HAR microstructures, it is affected by challenges related to demolding the final structure. In this study, we present very HAR micropillars using two-photon polymerization (TPP), an established technique for creating complex 3D microstructures. Polymeric micropillars with HARs fabricated by TPP often shrink and collapse during the development process. This is due to the lack of mechanical stability of micropillars against capillary forces primarily acting during the fabrication process when the solvent evaporates. Here, we report different parameters that have been optimized to overcome the capillary force. These include surface modification of the substrate, fabrication parameters such as laser power, exposure time, the pitch distance between the pillars, and the length of the pillars. On account of adopting these techniques, we were able to fabricate micropillars with a very HAR up to 80.
Review on Microbially Influenced Concrete Corrosion
Authors: Wang Dongsheng , Guan Fang , Feng Chao , Mathivanan Krishnamurthy , Zhang Ruiyong , Sand Wolfgang
Published: August 2023

Microbially influenced concrete corrosion (MICC) causes substantial financial losses to modern societies. Concrete corrosion with various environmental factors has been studied extensively over several decades. With the enhancement of public awareness on the environmental and economic impacts of microbial corrosion, MICC draws increasingly public attention. In this review, the roles of various microbial communities on MICC and corresponding protective measures against MICC are described. Also, the current status and research methodology of MICC are discussed. Thus, this review aims at providing insight into MICC and its mechanisms as well as the development of protection possibilities.
Brucella abortus Strain RB51 Administered to Prepubescent Water Buffaloes, from Vaccination to Lactation: Kinetics of Antibody Response and Vaccine Safety
Authors: De Massis Fabrizio , Sacchini Flavio , D’Alterio Nicola , Migliorati Giacomo , Ferri Nicola , Rossi Emanuela , Averaimo Daniela , Petrini Antonio , Podaliri Vulpiani Michele , Perletta Fabrizia , Rodomonti Diamante , Luciani Mirella , Befacchia Giovanni , Maggetti Marta , Di Febo Tiziana , Di Pancrazio Chiara , Krasteva Ivanka Marinova , Salini Romolo , Vincifori Giacomo , Iannetti Simona , Tittarelli Manuela
Published: August 2023

Brucella RB51 is a live modified vaccine. Its use in water buffalo has been proposed using a vaccination protocol different to that used for cattle, but knowledge of the long-term effects of RB51 vaccination in this species remains incomplete. The aim of the study was to evaluate the safety and kinetics of antibody responses in water buffaloes vaccinated according to the protocol described for the bovine species in the WOAH Manual, modified with the use of a triple dose. Water buffaloes were vaccinated with the vaccine RB51. A booster vaccination was administered at 12 months of age. When turning 23–25 months old, female animals were induced to pregnancy. RB51-specific antibodies were detected and quantified using a CFT based on the RB51 antigen. Vaccinated animals showed a positive serological reaction following each vaccine injection, but titers and the duration of the antibody differed among animals. For 36 weeks after booster vaccination, the comparison of CFT values between vaccinated and control groups remained constantly significant. Afterwards, antibody titers decreased. No relevant changes in antibody response were recorded during pregnancy or lactation. In conclusion, results indicated that the vaccination schedule applied is safe and allows for vaccinated and unvaccinated controls to be discriminated between for up to 8 months after booster vaccination.
Screening and Identification of a Streptomyces Strain with Quorum-Sensing Inhibitory Activity and Effect of the Crude Extracts on Virulence Factors of Pseudomonas aeruginosa
Authors: Zhang Zhidong , Sun Yang , Yi Yuanyang , Bai Xiaoyu , Zhu Liying , Zhu Jing , Gu Meiying , Zhu Yanlei , Jiang Ling
Published: August 2023

Quorum-sensing (QS) is involved in numerous physiological processes in bacteria, such as biofilm formation, sporulation, and virulence formation. Therefore, the search for new quorum-sensing inhibitors (QSI) is a promising strategy that opens up a new perspective for controlling QS-mediated bacterial pathogens. To explore new QSIs, a strain named Streptomyces sp. D67 with QS inhibitory activity was isolated from the soil of the arid zone around the Kumutag Desert in Xinjiang. Phylogenetic analyses demonstrated that strain D67 shared the highest similarity with Streptomyces ardesiacus NBRC 15402T (98.39%), which indicated it represented a potential novel species in the Streptomyces genus. The fermentation crude extracts of strain D67 can effectively reduce the violacein production produced by Chromobacterium violaceum CV026 and the swarming and swimming abilities of Pseudomonas aeruginosa. It also has significant inhibitory activity on the production of virulence factors such as biofilm, pyocyanin, and rhamnolipids of P. aeruginosa in a significant concentration-dependent manner, but not on protease activity. A total of 618 compounds were identified from the fermentation crude extracts of strain D67 by LC-MS, and 19 compounds with significant QS inhibitory activity were observed. Overall, the strain with QS inhibitory activity was screened from Kumutag Desert in Xinjiang for the first time, which provided a basis for further research and development of new QSI.
An Efficient Triplex TaqMan Quantitative PCR to Detect a Blackleg-Causing Lineage of Pectobacterium brasiliense in Potato Based on a Pangenome Analysis
Authors: van der Lee Theo A. J. , van Gent-Pelzer Marga P. E. , Jonkheer Eef M. , Brankovics Balázs , Houwers Ilse M. , van der Wolf Jan M. , Bonants Peter J. M. , van Duivenbode Inge , Vreeburg Robert A. M. , Nas Mathijs , Smit Sandra
Published: August 2023

P. brasiliense is an important bacterial pathogen causing blackleg (BL) in potatoes. Nevertheless, P. brasiliense is often detected in seed lots that do not develop any of the typical blackleg symptoms in the potato crop when planted. Field bioassays identified that P. brasiliense strains can be categorized into two distinct classes, some able to cause blackleg symptoms and some unable to do it. A comparative pangenomic approach was performed on 116 P. brasiliense strains, of which 15 were characterized as BL-causing strains and 25 as non-causative. In a genetically homogeneous clade comprising all BL-causing P. brasiliense strains, two genes only present in the BL-causing strains were identified, one encoding a predicted lysozyme inhibitor Lprl (LZI) and one encoding a putative Toll/interleukin-1 receptor (TIR) domain-containing protein. TaqMan assays for the specific detection of BL-causing P. brasiliense were developed and integrated with the previously developed generic P. brasiliense assay into a triplex TaqMan assay. This simultaneous detection makes the scoring more efficient as only a single tube is needed, and it is more robust as BL-causing strains of P. brasiliense should be positive for all three assays. Individual P. brasiliense strains were found to be either positive for all three assays or only for the P. brasiliense assay. In potato samples, the mixed presence of BL-causing and not BL-causing P. brasiliense strains was observed as shown by the difference in Ct value of the TaqMan assays. However, upon extension of the number of strains, it became clear that in recent years additional BL-causing lineages of P. brasiliense were detected for which additional assays must be developed.
Fe–Cu Isotope Characteristics and Geological Significance of the Yushui Seafloor Massive Sulfide Deposit in the Late Paleozoic Marine Depression, Eastern Guangdong Province
Authors: Huang Yi , Wang Yan , Wu Zhongwei , Sun Xiaoming , Yang Fan , Shi Guiyong , Guan Yao , Yin Zhengxin
Published: August 2023

The Yong’an-Meixian Late Paleozoic Hercynian depression, located in western Fujian-eastern Guangdong, is an important metallogenic belt in China. The Yushui copper-polymetallic massive sulfide deposit from the middle part of the depression, with extremely high copper grades, has attracted considerable attention and research interest from geologists for years. In most previous research, the ore-forming material source and metallogenic process were inferred from indirect evidence (i.e., using H-O-C-S isotopic systematics as geochemical tracers). In this paper, the ore-forming process of the Yushui deposit has been studied directly by using nontraditional stable (Fe–Cu) isotopes for the first time, providing new evidence for the genesis of this deposit. The results show that there is a relatively negative Fe-Cu isotopic composition in the Yushui deposit, with δ56Fe values ranging from −0.519 to −1.063‰ and δ65Cu values ranging from −1.539 to −1.609‰, respectively. The fractionation of Fe isotopes is primarily attributed to hydrothermal leaching of the basement strata by ore-forming fluids, along with rapid precipitation of sulfides during the ore-forming process. On the other hand, the fractionation of Cu isotopes is probably controlled by the relatively low temperature of ore formation, sulfide precipitation and the involvement of organic matter in mineralization. Combining our findings with previous studies, the ore-forming materials of the Yushui deposit are likely derived from the basement ore-bearing strata (pre-Devonian strata) through leaching by hydrothermal fluids. Moreover, some of the ore bodies might have been locally overprinted by late-stage hydrothermal reworking and alteration.
Compositional Signatures of Gold from Different Deposit Types in British Columbia, Canada
Authors: Chapman Rob , Mortensen James Kenneth , Murphy Rory
Published: August 2023

A study of both in situ and detrital gold from different deposit types in British Columbia was undertaken to establish deposit-specific compositional characteristics in terms of alloy composition and suites of mineral inclusions. The study is based on 11,840 particles from 160 localities in which nine gold deposit types are represented, although there is a strong bias towards gold of orogenic, low-sulphidation epithermal, and alkalic porphyry origin. In general, Ag values in gold alloys are not a powerful discriminator for deposit type, but minor metals may prove useful where detectable, e.g., Cu in gold from ultramafic associations and Pd and Hg in gold from alkalic porphyry systems. The characterization of inclusion suites is far more illuminating, as they correlate strongly with the mineralogy of auriferous ores from different deposit types. This outcome has confirmed the validity of designing an indicator methodology based on inclusion suites and has permitted the prediction of inclusion suites for gold from other deposit types where data are more scarce. The compositional templates generated in the study were applied to identify the source deposit type(s) of gold from 41 localities (a total of 2916 detrital gold particles) where gold genesis was previously unknown.
Geochemistry and Mineralogy of Peridotites and Chromitites from Zhaheba Ophiolite Complex, Eastern Junggar, NW China: Implications for the Tectonic Environment and Genesis
Authors: Wang Zhaolin , Yan Jiayong , Tang Hejun , Xiao Yandong , Deng Zhen , Meng Guixiang , Sun Hui , Qi Yaogang , Yuan Lulu
Published: August 2023

The Zhaheba ophiolite is an ocean relic of the Zhaheba-Aermantai oceanic slab, a branch of the early Paleozoic Paleo-Asian Ocean. The peridotites consist mainly of harzburgite, lherzolite and minor dunite, chromitite. This study describes the whole-rock geochemistry and mineral chemistry of the Zhaheba peridotite and chromitite for the purpose of constraining their tectonic environment and genesis. The major oxides and the trace element concentrations of the peridotites are comparable with abyssal peridotite, but fall outside the field of SSZ (suprasubduction zone) peridotite and the fore-arc peridotite. The massive chromites belong to the high-Cr group, with an average Cr# (Cr/(Cr + Al)) atomic ratio) value of chromian spinel of 0.77, whereas the average Mg# value is 0.60. The disseminated chromites give a lower concentration of Cr2O3 (38.96–42.15 wt.%, average 40.35 wt.%) and lower Cr# values (0.50–0.56, average 0.53), but slightly higher contents of MgO (13.23 wt.%) and Mg# (0.61) than the massive chromites. In the diagrams of Cr#-Mg#, NiO-Cr# and TiO2-Cr#, the massive chromites fall in the field of boninite, and the disseminated chromite in the peridotite plot fall in the field of abyssal peridotite and mid-oceanic ridge basalt (MORB). The massive chromitites, with high-Cr, display a boninite affinity, whereas the disseminated chromite plot in the high-Al and abyssal peridotite type field may be generated by the extension of the Zhaheba ocean in the MOR environment then experienced deep subduction and exhumation. The calculated degrees of partial melting for the massive chromites are 21%−22%, and for the disseminated chromites in peridotites the degrees are 17%−18%. The calculated values of fO2 for the massive chromites range from −1.44 to +0.20, and the values for the disseminated chromites range from −0.32 to +0.18. The inferred parental melt composition for massive chromitite falls in the field of boninite in an arc setting, whereas the disseminated chromite in peridotites are in the field of a MORB setting. This indicates that the parental magmas of the former were more refractory than the latter. A two-stage evolution model for the chromites was proposed, in which disseminated chromites were first formed in an MOR environment and then modified by later-stage melts and fluids, and formed massive chromites were formed in an SSZ setting during intra-oceanic subduction.
Characteristics and Geological Significance of Organic Matter Veins in Shale Reservoir: A Case Study of the Silurian Longmaxi Formation in Luzhou Area, Sichuan Basin
Authors: Wang Yuanlin , Jia Yunqian , Wang Chenchen , Lin Wei , Zhang Jizhen , Han Denglin , Ma Binyu , Wang Huachao
Published: August 2023

Organic matter serves as the hydrocarbon-generating parent material for shale reservoirs, in which organic pores are also important reservoir spaces. Different types of organic matter have wide differences in hydrocarbon generation and pore-forming ability. Based on the occurrence state of organic matter, in the over-mature Marine shale organic matter mainly includes in situ and migrated organic matter. It has been extensively studied on in situ organic matter and organic matter migrating into inorganic pores, while there are few reports of organic matter migrating into microfractures. In this study, the over-mature Marine shale reservoir in the first sub-member of the Silurian Longmaxi Formation in the Luzhou area of the Sichuan Basin is taken as an example. Core observation, optical microscope, high-precision large-view scanning (MAPS, modular automated processing system) and mineral analysis scanning (QEMSCAN, quantitative evaluation of minerals by scanning electron microscopy) were conducted to observe the morphological characteristics of organic matter veins, and then analyze the genesis and pore-forming characteristics of such organic matter. The results show that: ① Organic matter veins (OM veins) are soluble organic matter with fractures as an effective channel, and OM veins in the study section is easy to form under the condition of micro-fractures in the shale sweet segment after organic matter generating oil and before gas generation ② Organic matter in the OM veins are less efficient in pore-forming, with sparse pores and smaller pore sizes. The occurrence of fractures varies greatly, including horizontal fractures, oblique fractures and high-angle fractures, which are mostly developed in the Long111 and Long112 layers. ③ The development of OM veins can indicate better reservoir conditions, that is, the layers have strong hydrocarbon generation intensity (strong pore-forming ability of organic matter) and high brittle mineral content (strong reservoir compressibility). The new findings in this paper reveal that OM veins are instructive for the determination of geological–engineering sweet spots in the Longmaxi Formation in the Sichuan Basin, and also provide guidance for future research on occurrence form and geological significance of different types of organic matter.
Effects of Metasomatism on Granite-Related Mineral Systems: A Boron-Rich Open Greisen System in the Highiş Granitoids (Apuseni Mountains, Romania)
Authors: Varga Andrea , Pozsár Attila , Zajzon Norbert , Topa Boglárka , Benkó Zsolt , Pál-Molnár Elemér , Raucsik Béla
Published: August 2023

Greisenization is typically linked with highly fractionated granites and is often associated with hydrothermal vein systems. Late to postmagmatic metasomatic processes involve the enrichment of volatile components such as boron and halogens as well as several metallic elements. The purpose of this study is to reveal the main metasomatic effects and paragenetic sequences of the related mineralizations in Highiş granitoids, Romania. In a natural outcrop, more than 30 samples were collected from granitoids, felsic veins, and country rocks. We carried out a detailed mineralogical and petrological characterization of carefully selected samples using X-ray powder diffractometry, electron microprobe analysis, and microscopic methods together with K–Ar ages of whole rocks and K-bearing minerals. Several characteristic features of albitization, sericitization, tourmalinization, epidotization, and hematitization were recognized in the studied samples. Crystallization of quartz, K-feldspar, and magnetite represents the first stage during the magmatic-hydrothermal transition. The mineral assemblage of albite, sericite, schorl, and quartz originates from the early and main stages of greisenization. While the subsequent mineral assemblages, which predominantly include dravite, specular hematite, and epidote, are closely related to the late vein-depositing stage. We propose that the study area could belong to a boron-rich open greisen system in the apical portion of Guadalupian A-type granite. Based on a new hypothesis, the previously published Permian crystallization ages (between ~272 Ma and ~259 Ma) could be homogenized and/or partially rejuvenated during the hydrothermal mineralization processes due to uraniferous vein minerals. Additionally, the Highiș granite-related system suffered a Cretaceous thermal overprint (between ~100 Ma and ~96 Ma). The results may help to understand the evolution of highly evolved granite intrusions worldwide and improve our knowledge of the effect of hydrothermal mineralization processes on the emplacement ages.
Analysis of Lutein Content in Microencapsulated Marigold Flower Extract (Tagetes erecta L.) Using UHPLC-Q-Orbitrap-HRMS and Its Cytotoxicity in ARPE-19 Cells
Authors: Suwanklang Pornson , Thilavech Thavaree , Limwikrant Waree , Kitphati Worawan , Supharattanasitthi Wasu , Lomarat Pattamapan
Published: August 2023

Organic solvents are commonly used to extract lutein. However, they are toxic and are not environmental-friendly. There are only a few reports on the quantification of lutein. Therefore, this study aimed to determine a suitable extraction method by which to obtain lutein from marigold flower (Tagetes erecta L.), using coconut oil to evaluate the cytotoxicity of extract in ARPE-19 cells, to optimize the encapsulation process for the development of microencapsulated marigold flower extract, and to develop the method for analysis of lutein by using UHPLC-Q-Orbitrap-HRMS. Coconut oil was used for the extraction of marigold flowers with two different extraction methods: ultrasonication and microwave-assisted extraction. The UHPLC-Q-Orbitrap-HRMS condition for the analysis of lutein was successfully developed and validated. Marigold flower extract obtained using the microwave method had the highest lutein content of 27.22 ± 1.17 mg/g. A cytotoxicity study revealed that 16 µM of lutein from marigold extract was non-toxic to ARPE-19 cells. For the development of microencapsulated marigold extract, the ratio of oil to wall at 1:5 had the highest encapsulation efficiency and the highest lutein content. Extraction of lutein using coconut oil and the microwave method was the suitable method. The microencapsulated marigold extract can be applied for the development of functional ingredients.
Naphtalimide-Based Bipolar Derivatives Enabling High-Efficiency OLEDs
Authors: Beresneviciute Raminta , Gautam Prakalp , Nagar Mangey Ram , Krucaite Gintare , Tavgeniene Daiva , Jou Jwo-Huei , Grigalevicius Saulius
Published: August 2023

Organic light-emitting diodes (OLEDs) have revolutionized the world of technology, making significant contributions to enhancing our everyday lives. With their exceptional display and lighting capabilities, OLEDs have become indispensable in various industries such as smartphones, tablets, televisions, and automotives. They have emerged as a dominant technology, inspiring continuous advancements, and improvements. Taking inspiration from the remarkable advancements in OLED advancements, we have successfully developed naphtalimide-based compounds, namely RB-08, RB-09, RB-10, and RB-11. These compounds exhibit desirable characteristics such as a wide bandgap, high decomposition temperatures (306–366 °C), and very high glass transition temperatures (133–179 °C). Leveraging these exceptional properties, we have harnessed these compounds as green emitters in the aforementioned devices. Among the various fabricated OLEDs, the one incorporating the RB-11 emitter has exhibited superior performance. This specific configuration achieved maximum power efficacy of 7.7 lm/W, current efficacy of 7.9 cd/A, and external quantum efficiency of 3.3%. These results highlight the outstanding capabilities of our synthesized emitter and its potential for further advancements in the field.
Synthesis and Applications of Hybrid Polymer Networks Based on Renewable Natural Macromolecules
Authors: Getya Dariya , Gitsov Ivan
Published: August 2023

Macromolecules obtained from renewable natural sources are gaining increasing attention as components for a vast variety of sustainable polymer-based materials. Natural raw materials can facilitate continuous-flow production due to their year-round availability and short replenishment period. They also open new opportunities for chemists and biologists to design and create “bioreplacement” and “bioadvantaged” polymers, where complex structures produced by nature are being modified, upgraded, and utilized to create novel materials. Bio-based macromonomers are expected not only to compete with but to replace some petroleum-based analogs, as well. The development of novel sustainable materials is an ongoing and very dynamic process. There are multiple strategies for transforming natural macromolecules into sophisticated value-added products. Some methods include chemical modification of macromolecules, while others include blending several components into one new system. One of the most promising approaches for incorporating renewable macromolecules into new products is the synthesis of hybrid networks based on one or more natural components. Each one has unique characteristics, so its incorporation into a network brings new sustainable materials with properties that can be tuned according to their end-use. This article reviews the current state-of-the-art and future potential of renewable natural macromolecules as sustainable building blocks for the synthesis and use of hybrid polymer networks. The most recent advancements and applications that involve polymers, such as cellulose, chitin, alginic acid, gellan gum, lignin, and their derivatives, are discussed.
Tetrahedral Imidazolate Frameworks with Auxiliary Ligands (TIF-Ax): Synthetic Strategies and Applications
Authors: Hao Tong , Li Hui-Zi , Wang Fei , Zhang Jian
Published: August 2023

Zeolitic imidazolate frameworks (ZIFs) are an important subclass of metal–organic frameworks (MOFs). Recently, we reported a new kind of MOF, namely tetrahedral imidazolate frameworks with auxiliary ligands (TIF-Ax), by adding linear ligands (Hint) into the zinc–imidazolate system. Introducing linear ligands into the M2+-imidazolate system overcomes the limitation of imidazole derivatives. Thanks to the synergistic effect of two different types of ligands, a series of new TIF-Ax with interesting topologies and a special pore environment has been reported, and they have attracted extensive attention in gas adsorption, separation, catalysis, heavy metal ion capture, and so on. In this review, we give a comprehensive overview of TIF-Ax, including their synthesis methods, structural diversity, and multi-field applications. Finally, we also discuss the challenges and perspectives of the rational design and syntheses of new TIF-Ax from the aspects of their composition, solvent, and template. This review provides deep insight into TIF-Ax and a reference for scholars with backgrounds of porous materials, gas separation, and catalysis.
Scaffold Morphing and In Silico Design of Potential BACE-1 (β-Secretase) Inhibitors: A Hope for a Newer Dawn in Anti-Alzheimer Therapeutics
Authors: Bhatia Shiveena , Singh Manjinder , Sharma Pratibha , Mujwar Somdutt , Singh Varinder , Mishra Krishna Kumar , Singh Thakur Gurjeet , Singh Tanveer , Ahmad Sheikh Fayaz
Published: August 2023

Alzheimer’s disease (AD) is the prime cause of 65–80% of dementia cases and is caused by plaque and tangle deposition in the brain neurons leading to brain cell degeneration. β-secretase (BACE-1) is a key enzyme responsible for depositing extracellular plaques made of β-amyloid protein. Therefore, efforts are being applied to develop novel BACE-1 enzyme inhibitors to halt plaque build-up. In our study, we analyzed some Elenbecestat analogues (a BACE-1 inhibitor currently in clinical trials) using a structure-based drug design and scaffold morphing approach to achieve a superior therapeutic profile, followed by in silico studies, including molecular docking and pharmacokinetics methodologies. Among all the designed compounds, SB306 and SB12 showed good interactions with the catalytic dyad motifs (Asp228 and Asp32) of the BACE-1 enzyme with drug-likeliness properties and a high degree of thermodynamic stability confirmed by the molecular dynamic and stability of the simulated system indicating the inhibitory nature of the SB306 and SB12 on BACE 1.
Zanubrutinib Ameliorates Cardiac Fibrosis and Inflammation Induced by Chronic Sympathetic Activation
Authors: Li Wenqi , Zhu Shuwen , Liu Jing , Liu Zhigang , Zhou Honggang , Zhang Qianyi , Yang Yue , Chen Li , Guo Xiaowei , Zhang Tiantian , Meng Lingxin , Chai Dan , Tang Guodong , Li Xiaohe , Yang Cheng
Published: August 2023

(1) Background: Heart failure (HF) is the final stage of multiple cardiac diseases, which have now become a severe public health problem worldwide. β-Adrenergic receptor (β-AR) overactivation is a major pathological factor associated with multiple cardiac diseases and mediates cardiac fibrosis and inflammation. Previous research has demonstrated that Bruton’s tyrosine kinase (BTK) mediated cardiac fibrosis by TGF-β related signal pathways, indicating that BTK was a potential drug target for cardiac fibrosis. Zanubrutinib, a second-generation BTK inhibitor, has shown anti-fibrosis effects in previous research. However, it is unclear whether Zanubrutinib can alleviate cardiac fibrosis induced by β-AR overactivation; (2) Methods: In vivo: Male C57BL/6J mice were treated with or without the β-AR agonist isoproterenol (ISO) to establish a cardiac fibrosis animal model; (3) Results: In vivo: Results showed that the BTK inhibitor Zanubrutinib (ZB) had a great effect on cardiac fibrosis and inflammation induced by β-AR. In vitro: Results showed that ZB alleviated β-AR-induced cardiac fibroblast activation and macrophage pro-inflammatory cytokine production. Further mechanism studies demonstrated that ZB inhibited β-AR-induced cardiac fibrosis and inflammation by the BTK, STAT3, NF-κB, and PI3K/Akt signal pathways both in vivo and in vitro; (4) Conclusions: our research provides evidence that ZB ameliorates β-AR-induced cardiac fibrosis and inflammation.
Secondary Metabolomic Analysis and In Vitro Bioactivity Evaluation of Stems Provide a Comprehensive Comparison between Dendrobium chrysotoxum and Dendrobium thyrsiflorum
Authors: Xie Lihang , Huang Jinyong , Xiong Tingjian , Ma Yao
Published: August 2023

The stems of Dendrobium chrysotoxum (DC) are commonly used as health-promoting foods due to their excellent biological activities. However, the stems of D. thyrsiflorum (DT) are often used to meet the scarcity of DC in production because of their highly similar morphology. However, the related metabolomic and bioactive information on the stems of DC and DT are largely deficient. Here, secondary metabolites of DC and DT stems were identified using an ultra-performance liquid chromatography-electrospray ionization-mass spectrometry, and their health-promoting functions were evaluated using several in vitro arrays. A total of 490 metabolites were identified in two stems, and 274 were significantly different. We screened out 10 key metabolites to discriminate the two species, and 36 metabolites were determined as health-promoting constituents. In summary, DT stems with higher extract yield, higher total phenolics and flavonoids, and stronger in vitro antioxidant activities demonstrated considerable potential in food and health fields.
A New Impregnated Adsorbent for Noble Metal Ion Sorption
Authors: Hubicki Zbigniew , Zinkowska Karolina , Wójcik Grzegorz
Published: August 2023

Noble metals (NM) such as gold, platinum, palladium, and rhodium are widely applied in the electronics and automotive industries. Thus, the search for cheap and selective sorbents for noble metals is economically justified. Nitrolite does not sorb noble metal ions. A new impregnated sorbent was prepared. The natural sorbent Nitrolite was impregnated with Aliquat 336 using a new warm impregnation method. After the impregnation process, Nitrolite adsorbed platinum(IV), palladium(II), and gold(III) ions from the chloride solutions. The values of the sorption capacity for palladium(II) and platinum(IV) ions were 47.63 mg/g and 51.39 mg/g, respectively, from the 0.1 M HCl model solution. The sorption capacity for gold(III) ions was estimated to be 73.43 mg/g from the 0.1 M HCl model solution. An exhausted catalytic converter was leached, and platinum(IV), palladium(II), and rhodium(III) were transferred to the chloride solution. The impregnated sorbent Nitrolite–Aliquat 336 was used in the investigations of the platinum(IV), palladium(II), and rhodium(III) ions’ sorption from a real solution. The impregnated sorbent Nitrolite–Aliquat 336 proved to be suitable for the recovery of platinum(IV) and palladium(II) ions, whereas rhodium ions were not sorbed from the leached solutions. Notably, 1 M thiourea in the 1 M HCl solution desorbed platinum(IV), palladium(II), and gold(III) above 94%.
Accelerator-Based Production of Scandium Radioisotopes for Applications in Prostate Cancer: Toward Building a Pipeline for Rapid Development of Novel Theranostics
Authors: Meier Jason P. , Zhang Hannah J. , Freifelder Richard , Bhuiyan Mohammed , Selman Phillip , Mendez Megan , Kankanamalage Pavithra H. A. , Brossard Thomas , Pusateri Antonino , Tsai Hsiu-Ming , Leoni Lara , Penano Sagada , Ghosh Kaustab , Broder Brittany A. , Markiewicz Erica , Renne Amy , Stadler Walter , Weichselbaum Ralph , Nolen Jerry , Kao Chien-Min , Chitneni Satish K. , Rotsch David A. , Szmulewitz Russell Z. , Chen Chin-Tu
Published: August 2023

In the field of nuclear medicine, the β+ -emitting 43Sc and β− -emitting 47Sc are promising candidates in cancer diagnosis and targeted radionuclide therapy (TRT) due to their favorable decay schema and shared pharmacokinetics as a true theranostic pair. Additionally, scandium is a group-3 transition metal (like 177Lu) and exhibits affinity for DOTA-based chelators, which have been studied in depth, making the barrier to implementation lower for 43/47Sc than for other proposed true theranostics. Before 43/47Sc can see widespread pre-clinical evaluation, however, an accessible production methodology must be established and each isotope’s radiolabeling and animal imaging capabilities studied with a widely utilized tracer. As such, a simple means of converting an 18 MeV biomedical cyclotron to support solid targets and produce 43Sc via the 42Ca(d,n)43Sc reaction has been devised, exhibiting reasonable yields. The NatTi(γ,p)47Sc reaction is also investigated along with the successful implementation of chemical separation and purification methods for 43/47Sc. The conjugation of 43/47Sc with PSMA-617 at specific activities of up to 8.94 MBq/nmol and the subsequent imaging of LNCaP-ENZaR tumor xenografts in mouse models with both 43/47Sc-PSMA-617 are also presented.
Bismacrocycle: Structures and Applications
Authors: Chen Xu-Lang , Yu Si-Qian , Huang Xiao-Huan , Gong Han-Yuan
Published: August 2023

In the past half-century, macrocycles with different structures and functions, have played a critical role in supramolecular chemistry. Two macrocyclic moieties can be linked to form bismacrocycle molecules. Compared with monomacrocycle, the unique structures of bismacrocycles led to their specific recognition and assembly properties, also a wide range of applications, including molecular recognition, supramolecular self-assembly, advanced optical material construction, etc. In this review, we focus on the structure of bismacrocycle and their applications. Our goal is to summarize and outline the possible future development directions of bismacrocycle research.
Effects of the Coculture Initiation Method on the Production of Secondary Metabolites in Bioreactor Cocultures of Penicillium rubens and Streptomyces rimosus
Authors: Boruta Tomasz , Ścigaczewska Anna , Ruda Agnieszka , Bizukojć Marcin
Published: August 2023

Bioreactor cocultures involving Penicillium rubens and Streptomyces rimosus were investigated with regard to secondary metabolite production, morphological development, dissolved oxygen levels, and carbon substrate utilization. The production profiles of 22 secondary metabolites were analyzed, including penicillin G and oxytetracycline. Three inoculation approaches were tested, i.e., the simultaneous inoculation of P. rubens with S. rimosus and the inoculation of S. rimosus delayed by 24 or 48 h relative to P. rubens. The delayed inoculation of S. rimosus into the P. rubens culture did not prevent the actinomycete from proliferating and displaying its biosynthetic repertoire. Although a period of prolonged adaptation was needed, S. rimosus exhibited growth and the production of secondary metabolites regardless of the chosen delay period (24 or 48 h). This promising method of coculture initiation resulted in increased levels of metabolites tentatively identified as rimocidin B, 2-methylthio-cis-zeatin, chrysogine, benzylpenicilloic acid, and preaustinoid D relative to the values recorded for the monocultures. This study demonstrates the usefulness of the delayed inoculation approach in uncovering the metabolic landscape of filamentous microorganisms and altering the levels of secondary metabolites.
Multicomponent X-ray Shielding Using Sulfated Cerium Oxide and Bismuth Halide Composites
Authors: Mahalingam Shanmugam , Kwon Dae-Seong , Kang Seok-Gyu , Kim Junghwan
Published: August 2023

Lead is the most widely used X-ray-shielding material, but it is heavy (density ≈ 11.34 g/cm3) and toxic. Therefore, the replacement of Pb with lightweight, ecofriendly materials would be beneficial, and such materials would have applications in medicine, electronics, and aerospace engineering. However, the shielding ability of Pb-free materials is significantly lower than that of Pb itself. To maximize the radiation attenuation of non-Pb-based shielding materials, a high-attenuation cross-section, normal to the incoming X-ray direction, must be achieved. In this study, we developed efficient X-ray-shielding materials composed of sulfated cerium oxide (S-CeO2) and bismuth halides. Crucially, the materials are lightweight and mechanically flexible because of the absence of heavy metals (for example, Pb and W). Further, by pre-forming the doped metal oxide as a porous sponge matrix, and then incorporating the bismuth halides into the porous matrix, uniform, compact, and intimate composites with a high-attenuation cross-section were achieved. Owing to the synergetic effect of the doped metal oxide and bismuth halides, the resultant thin (approximately 3 mm) and lightweight (0.85 g·cm−3) composite achieved an excellent X-ray-shielding rate of approximately 92% at 60 kV, one of the highest values reported for non-heavy-metal shielding materials.
Identification of Xanthine Oxidase Inhibitors from Celery Seeds Using Affinity Ultrafiltration–Liquid Chromatography–Mass Spectrometry
Authors: Gan Xiaona , Peng Bo , Chen Liang , Jiang Yanjun , Li Tingzhao , Li Bo , Liu Xiaodong
Published: August 2023

Celery seeds have been used as an effective dietary supplement to manage hyperuricemia and diminish gout recurrence. Xanthine oxidase (XOD), the critical enzyme responsible for uric acid production, represents the most promising target for anti-hyperuricemia in clinical practice. In this study, we aimed to establish a method based on affinity ultrafiltration–liquid chromatography–mass spectrometry (UF–LC–MS) to directly and rapidly identify the bioactive compounds contributing to the XOD-inhibitory effects of celery seed crude extracts. Chemical profiling of celery seed extracts was performed using UPLC-TOF/MS. The structure was elucidated by matching the multistage fragment ion data to the database and publications of high-resolution natural product mass spectrometry. Thirty-two compounds, including fourteen flavonoids and six phenylpeptides, were identified from celery seed extracts. UF–LC–MS showed that luteolin-7-O-apinosyl glucoside, luteolin-7-O-glucoside, luteolin-7-O-malonyl apinoside, luteolin-7-O-6′-malonyl glucoside, luteolin, apigenin, and chrysoeriol were potential binding compounds of XOD. A further enzyme activity assay demonstrated that celery seed extract (IC50 = 1.98 mg/mL), luteolin-7-O-apinosyl glucoside (IC50 = 3140.51 μmol/L), luteolin-7-O-glucoside (IC50 = 975.83 μmol/L), luteolin-7-O-6′-malonyl glucoside (IC50 = 2018.37 μmol/L), luteolin (IC50 = 69.23 μmol/L), apigenin (IC50 = 92.56 μmol/L), and chrysoeriol (IC50 = 40.52 μmol/L) could dose-dependently inhibit XOD activities. This study highlighted UF–LC–MS as a useful platform for screening novel XOD inhibitors and revealed the chemical basis of celery seed as an anti-gout dietary supplement.
Optimization of Deuteron Irradiation of 176Yb for Producing 177Lu of High Specific Activity Exceeding 3000 GBq/mg
Authors: Shao Lin
Published: August 2023

The irradiation of 176Yb with deuterons offers a promising pathway for the production of the theranostic radionuclide 177Lu. To optimize this process, calculations integrating deuteron transport, isotope production, and decay have been performed. In pure 176Yb, the undesired production of 174g+mLu occurs at higher deuteron energies, corresponding to a distribution slightly shallower than that of 177Lu. Hence, 174g+mLu can be effectively filtered out by employing either a low-energy deuteron beam or stacked foils. The utilization of stacked foils enables the production of 177Lu using a high-energy linear accelerator. Another unwanted isotope, 176mLu, is produced roughly at the same depth as 177Lu, but its concentration can be significantly reduced by selecting an appropriate post-irradiation processing time, owing to its relatively short half-life. The modeling approach extended to the mapping of yields as a function of irradiation time and post-irradiation processing time. An optimized processing time window was identified. The study demonstrates that a high-energy deuteron beam can be employed to produce 177Lu with high specific activity exceeding 3000 GBq/mg. The effect of different purity levels (ranging from 98% to 100%) was also discussed. The impurity levels have a slight impact. The modeling demonstrates the feasibility of obtaining 177Lu with a specific activity > 3000 GBq/mg and radionuclidic purity > 99.5% when using a commercially available 176Yb target of 99.6% purity.