bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ferrocenyl chalcone armed macrocyclic tet a‐based cobalt(II) and copper(II) complexes: DNA photocleavage activity and photocytotoxicity
Authors: Sethupathi Murugan , Praveena Arockiasamy , Sengottuvelan Nallathambi , Ponnuchamy Kumar 
Published: November 2022

Ferrocenyl chalcone armed ‘tet a’ macrocyclic cobalt(II) and copper(II) complexes (1) and (2) were synthesised and characterised by various physico‐chemical methodologies. The complexes exhibit Co(II)/Co(I) and Cu(II)/Cu(I) redox couple (quasi‐reversible) with E1/2 value of −0.82 and −0.82 V, respectively. Complex 1 is oxidised as quasi‐reversible two‐electron transfer processes with oxidation potential of E1pa = 0.64 and E1pc = 0.68 V, and complex 2 with oxidation potential of E1pa = 0.62 and E1pc = 0.66 V over 0.37 V of ferrocene was observed. The above scenario is indicating the positive charge destabilisation of mono‐ and dications originating a challenging condition for ferrocene oxidation. The DNA binding abilities of both the complexes (1 and 2) with calf thymus DNA (CT‐DNA) were investigated by spectroscopic studies (absorption/fluorescence) and electrochemical methods. Absorption spectral studies revealed that complexes 1 and 2 bind with CT‐DNA by partial intercalative mode of binding with Kb values of 1.04 × 106 and 7.29 × 105 M−1, respectively. Chemical nuclease activity is exhibited moderately in these complexes generating singlet oxygen (1O2) species and acting as effective photocleavers of pUC19 DNA in the red light region. As irradiated by red light, their cytotoxicity toward MDA‐MB‐231 displays a typical increase in cytotoxicity values. In comparing the dark and red light irradiated cell, MDA‐MB‐231 cells that were exposed to red light exhibited significant morphological alternations. Cell morphological studies were confirmed the morphological changes with dual staining by using AO/EB, Hoechst 33342 and PI against MDA‐MB‐231 cells. Furthermore, complexes 1 and 2 have less toxicity on Artemia nauplii even at higher concentrations, indicating that the synthesised complexes 1 and 2 are biocompatible.
Effect of polyethylene terephthalate fiber reinforced with non‐hydrophilic nano‐silica on the mechanical, thermic, and chemical shielding characteristics of saturated polyurethane composite
Authors: Nikam Pramod C. , Rao Adarsh R. , Shertukde Vikrant V. 
Published: November 2022

AbstractThe research investigates the reinforcing effect of scrap polyethylene terephthalate (PET) fiber, non‐hydrophilic nano‐SiO2(NS‐972) and heat suppressing agents in saturated polyurethane (SPU) composites. PET fiber was obtained through industrial mechanical processing from scraped PET. Thermic and surface morphology of synthesized SPU composites was characterized by using scanning electron microscopy (SEM) and thermogravimetric analysis (TGA). Thermic characteristics of filled PU,NS‐PET fiber (1.5%)‐APM (1:1) (PU‐NF1.5A) composite with (1:1) proportion of additive NS‐PET fiber (0.5–2%) and halogen free fire‐extinguishing additives APM (0–3%) were determined utilizing UL‐94, TGA, critical oxygen index, and smoke density. The tensile properties of the composite improved to 42.27% (4.14 MPa) when the filler content was increased to 1.5%. The WCA, moisture permeability and chemical resistance analysis indicated that fabricated composite films with variable additive content had excellent hydrophobicity and improved resistance to water, humidity, and chemical resistance. TGA data shows the increased thermal resistance of reinforced PU composite is attributed to the increased thermal deterioration temperature, resulted to the higher thermic degradation temperature of the terephthalic and sebacic acids used in the synthesis of PU. Smoke producing capacity of composite PU‐NF1.5A (0–3%) reduced from 82% to 52%. The LOI improved from 19 to 23 (−vol.%) at 3% APM additives.
Widely targeted metabolomics analysis of different parts of kudzu
Authors: Xiong Yun , Ma Peijie , Huang Limei , Li Yajiao , Wang Xiaoli 
Published: November 2022

AbstractPueraria lobata is a traditional medicinal and edible plant. Its root is often used as a nutritional supplement, but its stems and leaves are often discarded. In this study, the types and contents of compounds in roots, stems and leaves of kudzu were studied by ultra‐high‐performance liquid chromatography electrospray ionization tandem mass spectrometry. A total of 446 metabolites were identified, which were mainly divided into eight categories; 40 unique compounds were detected in roots. Multivariate statistical analysis showed that there were significant differences in the contents of metabolites in the roots, stems and leaves of kudzu, and the most significant differences were found in the roots and stems. Most flavonoids and terpenoids accumulated in roots, while alkaloids, flavonoid glycosides, lignans and coumarins accumulated in stems and leaves. In addition, isoflavones accumulated least in stems and most in roots. These results improved our understanding of the accumulation of metabolites in kudzu and provided a reference for the full study of the medicinal value of different parts of kudzu.
Spinal cord tissue engineering using human primary neural progenitor cells and astrocytes
Authors: Jin Chen , Wu Yayu , Zhang Haipeng , Xu Bai , Liu Wenbin , Ji Chunnan , Li Panpan , Chen Zhenni , Chen Bing , Li Jiayin , Wu Xianming , Jiang Peipei , Hu Yali , Xiao Zhifeng , Zhao Yannan , Dai Jianwu 
Published: November 2022

AbstractNeural progenitor cell (NPC) transplantation is a promising approach for repairing spinal cord injury (SCI). However, cell survival, maturation and integration after transplantation are still major challenges. Here, we produced a novel centimeter‐scale human spinal cord neural tissue (hscNT) construct with human spinal cord neural progenitor cells (hscNPCs) and human spinal cord astrocytes (hscAS) on a linearly ordered collagen scaffold (LOCS). The hscAS promoted hscNPC adhesion, survival and neurite outgrowth on the LOCS, to form a linearly ordered spinal cord‐like structure consisting of mature neurons and glia cells. When transplanted into rats with SCI, the hscNT created a favorable microenvironment by inhibiting inflammation and glial scar formation, and promoted neural and vascular regeneration. Notably, the hscNT promoted neural circuit reconstruction and motor functional recovery. Engineered human spinal cord implants containing astrocytes and neurons assembled on axon guidance scaffolds may therefore have potential in the treatment of SCI.
Modulation of nutrient precursors for controlling metabolic inhibitors by genome‐scale flux balance analysis
Authors: Hoang Duc , Kuang Bingyu , Liang George , Wang Zhao , Yoon Seongkyu 
Published: November 2022

AbstractTherapeutic protein productivity and glycosylation pattern highly rely on cell metabolism. Cell culture medium composition and feeding strategy are critical to regulate cell metabolism. In this study, the relationship between toxic metabolic inhibitors and their nutrient precursors was explored to identify the critical medium components toward cell growth and generation of metabolic by‐products. Generic CHO metabolic model was tailored and integrated with CHO fed‐batch metabolomic data to obtain a cell line‐ and process‐specific model. Flux balance analysis study was conducted on toxic metabolites cytidine monophosphate, guanosine monophosphate and n‐acetylputrescine—all of which were previously reported to generate from endogenous cell metabolism—by mapping them to a compartmentalized carbon utilization network. Using this approach, the study projected high level of inhibitory metabolites accumulation when comparing three industrially relevant fed‐batch feeding conditions one against another, from which the results were validated via a dose‐dependent amino acids spiking study. In the end, a medium optimization design was employed to lower the amount of supplemented nutrients, of which improvements in critical process performance were realized at 40% increase in peak viable cell density (VCD), 15% increase in integral VCD, and 37% increase in growth rate. Tight control of toxic by‐products was also achieved, as the study measured decreased inhibitory metabolites accumulation across all conditions. Overall, the study successfully presented a digital twin approach to investigate the intertwined relationship between supplemented medium constituents and downstream toxic metabolites generated through host cell metabolism, further elucidating different control strategies capable of improving cellular phenotypes and regulating toxic inhibitors.
Reverse Transcriptases: From Discovery and Applications to Xenobiology
Authors: Huber Luisa B. , Betz Karin , Marx Andreas 
Published: November 2022

AbstractReverse transcriptases are DNA polymerases that can use RNA as a template for DNA synthesis. They thus catalyze the reverse of transcription. Although discovered in 1970, reverse transcriptases are still of great interest and are constantly being further developed for numerous modern research approaches. They are frequently used in biotechnological and molecular diagnostic applications. In this review, we describe the discovery of these fascinating enzymes and summarize research results and applications ranging from molecular cloning, direct virus detection, and modern sequencing methods to xenobiology.
Efficient Production of Epoxy‐Norbornane from Norbornene by an Engineered P450 Peroxygenase
Authors: Yan Yu , Zheng Chenni , Song Wei , Wu Jing , Guo Liang , Gao Cong , Liu Jia , Chen Xiulai , Zhu Meng , Liu Liming 
Published: November 2022

AbstractEpoxy‐norbornane (EPO‐NBE) is a crucial building block for the synthesis of various biologically active heterocyclic systems. To develop an efficient protocol for producing EPO‐NBE using norbornene (NBE) as a substrate, cytochrome P450 enzyme from Pseudomonas putida (CYP238A1) was examined and its crystal structure (PDB code: 7X53) was resolved. Molecular mechanism analysis showed a high energy barrier related to iron‐alkoxy radical complex formation. Therefore, a protein engineering strategy was developed and an optimal CYP238A1NPV variant containing a local hydrophobic “fence” at the active site was obtained, which increased the H2O2‐dependent epoxidation activity by 7.5‐fold compared with that of CYP238A1WT. Among the “fence”, Glu255 participates in an efficient proton transfer system. Whole‐cell transformation using CYP238A1NPV achieved an EPO‐NBE yield of 77.6 g ⋅ L−1 in a 30‐L reactor with 66.3 % conversion. These results demonstrate the potential of this system for industrial production of EPO‐NBE and provides a new biocatalytic platform for epoxidation chemistry.
Modeling of Crescent‐Type Internal Gear Pumps Considering Gear Radial Micromotion
Authors: Pan Dinghao , Vacca Andrea 
Published: November 2022

AbstractThis paper presents a numerical modeling approach for investigating crescent‐type internal gear pumps (CIGPs) considering radial micromotions of both gears. The modeling approach couples a lumped parameter pressure solver on the bulk fluid domain, with a transient computational fluid dynamics film simulator based on transient gap geometries solved from the gear loading forces. Simulation results on a commercial unit shows that for a wide range of operating conditions, the model gives volumetric efficiency predictions with errors less than 2 % comparing to measurements. To highlight the importance of considering radial micromotions, the paper also provides the results achieved assuming nominal position for both gears.
Scaling‐up of an Insect Cell‐based Virus Production Process in a Novel Single‐use Bioreactor with Flexible Agitation
Authors: Kaiser Stephan C. , Decaria Paula N. , Seidel Stefan , Eibl Dieter 
Published: November 2022

AbstractA novel single‐use bioreactor was recently introduced to the market that is agitated by impellers suspended on flexible ropes rather than a rigid shaft. Computational fluid dynamics (CFD) models were created and validated by particle image velocimetry (PIV) to predict the bioreactor's fluid flow and mixing. The data were then used to scale‐up a Spodoptera frugiperda, subclone 9 (Sf9) insect cell‐based production of recombinant adeno‐associated virus (AAV) from a benchtop glass bioreactor to the single‐use system with 30 L working volume. This viral vector is one of the most commonly used in gene therapies. The volumetric power input was kept constant while maintaining reasonable mixing times and shear stresses between the scales. Peak cell densities of up to 7.2 × 106 cells mL−1 and maximum virus titers of 1.7 × 1011 vg mL−1 were achieved. Similar cell growth and metabolite profiles further proved the successful process transfer between the two geometrically non‐similar bioreactor systems. The pilot bioreactor yielded between 3.3 and 4.8 × 1015 vg that, depending on the therapy, can be sufficient for the treatment of a single patient.
Carbon Capture Beyond Amines: CO2Sorption at Nucleophilic Oxygen Sites in Materials
Authors: Zick Mary E. , Cho Donovan , Ling Jianheng , Milner Phillip J. 
Published: November 2022

AbstractCarbon capture and utilization or sequestration and direct air capture will be needed to reduce atmospheric levels of greenhouse gases over the next century. Current amine‐based technologies bind CO2with high selectivities but suffer from poor oxidative and thermal stabilities. Herein, we discuss understudied sorbents based on oxygen nucleophiles, including metal oxides and hydroxides, hydroxide‐containing polymers, and hydroxide‐based metal–organic frameworks. In general, these materials display improved oxidative stabilities compared to traditional amine‐based sorbents. We outline the challenges and opportunities offered by these alternative sorbents for carbon capture applications.
A Bioluminescent Protein‐Graphene Oxide Donor‐Quencher Pair in DNA Hybridization Assays
Authors: Petrucci Sabrina , Ramón Codina Garcia‐Andrade Josep , Moutsiopoulou Angeliki , Broyles David B. , Dikici Emre , Daunert Sylvia , Deo Sapna K. 
Published: November 2022

AbstractDespite fluorescent quenching with graphene oxide (GO) having shown great success in various applications ‐ bioluminescent quenching has not yet been demonstrated using GO as a quencher. To explore the ability of GO to quench bioluminescence, we used Gaussia luciferase (Gluc) as a donor and GO as a quencher and demonstrated its application in sensing of two target analytes, HIV‐1 DNA and IFN‐γ. We demonstrated that the incubation of Gluc conjugated HIV‐1 and IFN‐γ oligonucleotide probes with GO provided for monitoring of probe‐target interactions based on bioluminescence measurement in a solution phase sensing system. The limits of detection obtained for IFN‐γ and HIV‐1 DNA detection were 17 nM and 7.59 nM, respectively. Both sensing systems showed selectivity toward the target analyte. The detection of IFN‐γ in saliva matrix was demonstrated. The use of GO as a quencher provides for high sensitivity while maintaining the selectivity of designed probes to their respective targets. The use of GO as a quencher provides for an easy assay design and low cost, environmentally friendly reporter.
Synthesis of Isoxazolidines from Substituted Vinylnitrones and Conjugated Carbonyls via Visible‐Light Photocatalysis
Authors: Trieu Phillip , Filkin William H. , Pinarci Ali , Tobias Elisa M. , Madiu Rufai , Dellosso Brandon , Roldan Justin , Das Pulakesh , Austin Brooke E. , Moura‐Letts Gustavo 
Published: November 2022

AbstractHerein we report the first redox‐neutral visible‐light photocatalytic intermolecular dipolar cycloaddition for the diastereoselective synthesis of isoxazolidines. We have found that vinyl nitrones with a diverse substitution pattern undergo visible‐light‐promoted cycloadditions with conjugated carbonyls in the presence of catalytic amounts of Ru(bpy)3Cl2, with the reaction proceeding with high yields and good selectivities. A redox‐neutral pathway is proposed as the primary photoredox mechanism for this transformation.
Compartmentalization Accelerates Photosensitized NADH to NAD+ Conversion
Authors: Nau Roland E. P. , Bösking Julian , Pannwitz Andrea 
Published: November 2022

AbstractThe front cover artwork is provided by the Pannwitz group, Institute of Inorganic Chemistry I, Ulm University (Germany). The image illustrates the effect of compartmentalization in a light‐driven conversion: The encapsulated substrate reacts directly with the short‐lived 1O2 photogenerated by the photosensitizer in close proximity. Read the full text of the Research Article at 10.1002/cptc.202200158.
N6‐methyladenosine‐modified lncRNA ARHGAP5‐AS1 stabilises CSDE1 and coordinates oncogenic RNA regulons in hepatocellular carcinoma
Authors: Liu Jiandong , Zhang Nasha , Zeng Jiajia , Wang Teng , Shen Yue , Ma Chi , Yang Ming 
Published: November 2022

AbstractBackgroundHepatocellular carcinoma (HCC) ranks fourth among the malignancies leading to cancer‐related deaths all around the world. It is increasingly evident that long non‐coding RNAs (lncRNAs) are a key mode of hepatocarcinogenesis. As the most prevalent mRNA modification form, N6‐methyladenosine (m6A) regulates gene expression by impacting multiple aspects of mRNA metabolism. However, there are still no reports on genome‐wide screening and functional annotation of m6A‐methylated lncRNAs in HCC.MethodsThe m6A modification and biologic functions of ARHGAP5‐AS1 in HCC were investigated through a series of biochemical assays. Clinical implications of ARHGAP5‐AS1 were examined in tissues from HCC patients.ResultsAfter systematically analysing the m6A‐seq data of HCC cells, we identified 22 candidate lncRNAs with evidently dysregulated m6A levels. Among these lncRNAs, we found that ARHGAP5‐AS1 is the lncRNA with the highest levels of m6A modification and significantly increased expression in HCC specimens. METTL14 acts as the m6A writer of ARHGAP5‐AS1 and IGF2BP2 stabilises the lncRNA as its m6A reader. ARHGAP5‐AS1 remarkably promotes malignant behaviours of HCC cells ex vivo and in vivo. We identified oncoprotein CSDE1 working as the interacting protein of the lncRNA and TRIM28 as the E3 ligase of CSDE1 in HCC. Interestingly, ARHGAP5‐AS1 could attenuate interactions between CSDE1 and TRIM28, which prevents the degradation of CSDE1 via the ubiquitin‐proteasome pathway. Elevated levels of CSDE1 coordinate oncogenic RNA regulons, promote translation of VIM and RAC1 and activate the ERK pathway, which contributes to HCC prognosis.ConclusionsOur study reveals a new paradigm in m6A‐modified lncRNAs controlling CSDE1‐mediated oncogenic RNA regulons and highlights lncRNAs as potential targets for future therapeutics against HCC.
Guidelines for cellular and animal models of insulin resistance in type 2 diabetes
Authors: Wen Yuxi , Ouyang Yuezhen , Liu Yuanyuan , Zhong Ruhui , Huang Qihui , Zhao Chao 
Published: November 2022

AbstractAs a lifelong chronic metabolic disease, there is no effective method to completely eradicate diabetes. In the search for effective treatments, disease models are important as a means of revealing pathogenesis and screening for potentially useful drugs. Insulin resistance (IR) is closely linked to type 2 diabetes (T2D), and is not only the basis for the pathogenesis of T2D but also the main thread running through the disease. It is the key to preventing T2D for improving insulin sensitivity and improving IR. Therefore, the construction of IR models is an important technique in T2D research. Most studies have constructed models by actively manipulating cells or animals to simulate disease phenotypes that are similar to human pathogenesis. This guideline provides experimental details for the construction of IR cells and animal models, which is currently the most common, efficient, and stable models used in laboratories for most cells and animals. The guideline for constructing models can help reveal the pathogenesis of T2D and provide a basis for drug screening and development studies for IR‐related diseases.
Iodine Promoted Synthesis of S‐Benzoazolyl Chromones by a Three‐Component One‐Pot Reaction
Authors: Jiang Xin‐Yi , Wang Xi , Yang Cheng‐Li , Dong Zhi‐Bing 
Published: November 2022

AbstractIn the presence of iodine, the synthesis of S‐benzoazolyl chromone derivatives by one‐pot manner is reported. Thus, 2‐aminophenol firstly reacted with tetramethylthiuram disulfide (TMTD) to form 2‐mercaptobenzoxazole, and then coupled with 2‐hydroxyphenyl enaminones to obtain S‐benzoazolyl chromones through one‐pot manner. This method features mild conditions, easy operation, environmentally friendliness and wide substrate scopes, illustrating practical application value in organic synthesis.
Study on a matter flux method for staggered essentially Lagrangian hydrodynamics on triangular grids
Authors: Zhao Li , Xiao Bo , Wang Ganghua , Zhao Haibo , Bai Jinsong , Feng Chunsheng , Shu Shi 
Published: November 2022

AbstractA classical Lagrangian staggered‐grid hydrodynamic (SGH) method on triangular grids is prone to cell‐to‐cell oscillations. The causes of these oscillations can be divided into two categories. One is dissipation and the other is fluid deformation. For dissipation, when the kinematic energy stored on nodes are dissipated into internal energy in cells (shock wave is the most typical case), the dissipated energy may be unevenly assigned among cells, thus causes oscillations. This kind of oscillations can be controlled to a small level through a carefully designed viscous stress tensor or artificial heat flux, as studied widely in references. For fluid deformation, as the grid composed of straight lines cannot deform as flexibly as a continuous fluid, the volume of a grid cell would not accurately represent that of a fluid element, and this volume error will lead to oscillations too. In this article, we study in the SGH framework a matter‐flow method, whose design principle is representing the under‐grid bending motion of fluid elements by matter transport through grid edges. We first derive governing equations of the matter flow velocity defined at each edge of a grid, then derive formulas for the mass, energy, and momentum fluxes on the edge with the matter flow velocity. We test the matter‐flow method in largely deforming fluids problems on triangular meshes. It is shown that serious oscillations arise in the regular SGH simulations, while they are well controlled after implementing the matter‐flow method. In order to get a knowledge about the adaptability of the matter‐flow method, we also test it in shock problems that do not fall within its design goal. For this purpose, an artificial heat flow is introduced in the SGH scheme to play a major role in stabilizing the shock capture. The test results show that the matter‐flow method can help improve the shock simulations. The source code can be downloaded from the GitHub repository:
https://github.com/zhaoli0321/Matterflow.