bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assessment of antiproliferative activity of new half‐sandwich arene Ru (II) furylbenzhydrazone complexes
Authors: Prabaharan Ramya , Rengan Ramesh , Umapathy Devan , Arockiam Antony Joseph Velanganni , Małecki Jan Grzegorz 
Published: November 2021

AbstractThe study attempts in finding an effective anticancer activity of six new arene ruthenium (II) complexes possessing the composition of [(η6‐arene)Ru(L)Cl] (arene = benzene (1–3) /p‐cymene (4–6); L = 2‐furyl methyl benzhydrazones). Elemental analysis, Fourier transform infrared spectroscopy (FT‐IR), UV–vis, nuclear magnetic resonance (NMR), and high resolution mass spectrometry (HR‐MS) techniques were utilized to study the synthesized complexes. The single crystal X‐ray crystallography validated the bidentate mode of coordination of the benzhydrazone ligand and pseudo‐octahedral geometry around ruthenium ion. MTT assay has been performed to assess the in vitro growth of cancer cell inhibition ability of all the complexes against MCF‐7(breast carcinoma), HuH‐7 (hepatocellular carcinoma), and HeLa (cervical cancer), along with non‐cancerous L132 (human lung epithelium) cell lines. It has been found that all the six complexes exhibit good to excellent cytotoxicity toward the cancer cell lines tested with low IC50 values compared to cisplatin. Among the synthesized complexes, complex 6 shows potential cytotoxicity against all the cancer cell lines. The observed higher cytotoxicity of the complex 6 may be due to the electron donating methoxy group of the ligand and hydrophobic character of arene moiety. Eventually, the staining techniques such as AO‐EB, HOECHST 33342, RH‐123, and reactive oxygen species (ROS) establish that all the complexes bring about cell death via apoptosis. The present research results emphasize the more possibility to promote potential arene ruthenium anticancer agents.
Composite yarns with antibacterial nanofibrous sheaths produced by collectorless alternating‐current electrospinning for suture applications
Authors: Madheswaran Divyabharathi , Sivan Manikandan , Valtera Jan , Kostakova Eva Kuzelova , Egghe Tim , Asadian Mahtab , Novotny Vit , Nguyen Nhung H. A. , Sevcu Alena , Morent Rino , De Geyter Nathalie , Lukas David 
Published: November 2021

AbstractFabrication of strong antibacterial composite nanofibrous yarns (CNYs) for suture applications by using common direct current electrospinning has been technologically challenging. In this work, we have demonstrated a more straightforward and facile approach to fabricate chlorhexidine (CHX)‐containing antibacterial nanofibrous sheaths wounded around a polyamide core yarn using a novel collectorless alternating‐current electrospinning approach. Scanning electron microscopy results showed that the nanofibrous envelope was completely wrapped around the core yarn for both polymers, polyurethane, and polyamide 6 (PA6), used in this study. High‐performance liquid chromatography after dissolving of the CNYs confirmed the presence of CHX in the yarns, while X‐ray photoelectron spectroscopy and Fourier‐transform infrared spectroscopy indicated that the amount is relatively low. The tensile properties of all the CNYs were better than of the core yarns and the CHX addition resulted in a lower envelope linear density and envelope adhesion force. Thermal gravimetric analysis showed that all CNYs are thermally stable within the temperature range of interest. Cytocompatibility tests with 3T3‐SA mouse fibroblast cells and antibacterial evaluations with Escherichia coli and Staphylococcus aureus showed that the CHX‐containing PA6‐based CNYs are biocompatible and have antibacterial properties, suggesting that these yarns can be used as functional and mechanically performant sutures.
Millefeuille‐like cellular structures of biopolymer blend foams prepared by the foam injection molding technique
Authors: Kim Dongho , Hikima Yuta , Ohshima Masahiro 
Published: November 2021

AbstractMicrocellular foams with unique cellular structures were prepared from poly(lactic acid) (PLA) and poly(butylene succinate‐co‐adipate) (PBSA) blends using a foam injection molding technique with a core‐back operation. PLA and PBSA are biopolymers that are partially miscible with each other. When these biopolymers were blended, several blend morphologies appeared that were found to be dependent on the blend ratio. The blend morphologies and thermal and rheological properties of polymer blends with PLA/PBSA ratios of 100/0, 30/70, 50/50, 70/30, and 0/100 were observed, and the cellular structures of their foams were investigated. While most of the polymer blends showed sea and island structures, a polymer blend with a PLA/PBSA ratio of 50/50 showed a layered structure for the two polymers in which the continuous phases of both polymers were elongated along the flow direction used for injection molding. By utilizing the unique blend morphology and the difference in the viscosities of the two polymers, a millefeuille‐like microcellular structure was created from a 50/50 blend. Foams with millefeuille‐like cellular structures show unique anisotropic mechanical properties, and this study reveals a method for preparing foams of this type.
N‐(Biphenyl‐3‐ylmethyl)ethanamines as G protein‐biased agonists of 5‐HT7R
Authors: Kim Doyoung , Lee Jieon , Kwag Rina , Kim Hyunbin , Oh Hyunji , Moon Bongjin , Kim Hak Joong , Seong Jihye , Jeon Byungsun , Kang Taek , Choo Hyunah 
Published: November 2021

AbstractThere has been much attention to biased ligands of G protein‐coupled receptors (GPCRs) for potential pharmacological benefits. Recently, we reported N‐((6‐chloro‐2'‐methoxy‐[1,1'‐biphenyl]‐3‐yl)methyl)ethanamine 1 as G protein‐biased agonist of 5‐HT7R, which could be used as a chemical probe for the study on treatment discovery of autism spectrum disorder. Herein, we describe the synthesis of derivatives of the compound 1 and their biological evaluations in both G protein and β‐arrestin signaling pathway. Total 16 compounds were synthesized and evaluated, and the compounds 3c, 3f, 3i, and 3p could be called as G protein‐biased agonists like the compound 1. Among the four compounds, the compound 3c was the best in efficacy with an Emax value of 73% and the compound 3f was the most potent agonist with an EC50 value of 0.094 μM.
A miniaturized analytical method based on molecularly imprinted absorbents for selective extraction of (S)‐1,1′‐binaphthyl‐2,2′‐diamine and combinatorial screening of polymer precursors by computational simulation
Authors: Xu Xin , Huo Feng , Zhu Yongxia , Dong Hongxing , Wang Yanhui , Liu Lijia , Zhang Chunhong , Zhao Fangbo 
Published: November 2021

AbstractChiral resolution of binaphthylamine is often a toilful conundrum in the field of analytical chemistry and biomedicine. The work puts forward a selective, sensitive, and miniaturized analytical method based on molecularly imprinted polymers (MIPs) as adsorbent for miniaturized tip solid‐phase extraction (MTSPE) in the separation of binaphthylamine enantiomer. This method combines the advantages of MIPs (high selectivity), MTSPE (low consumption), and high‐performance liquid chromatography (HPLC, high sensitivity). A simple synthesis methodology of MIP (P2) was conducted through bulk polymerization with (S)‐(−)‐1,1′‐binaphthyl‐2,2′‐diamine (S‐DABN) as template together with methacrylic acid monomer, and ethylene glycol dimethacrylate as cross‐linker in proper porogen, realizing a selective recognition and efficient enrichment for S‐DABN. The method exhibited appreciable linearity (0.06–1.00 mg ml−1), low quantification limit (0.056 mg ml−1), good absolute recoveries (45.70%–69.29%), and high precision (relative standard deviations ≤ 3.54%), along with low consumption (0.50 ml sample solution and 25.0 mg adsorbent). Based on the density functional theory, computational simulation was used to make a preliminary prediction for rational design of MIPs and gave a reasonable elaboration involving the potential mechanism of templates interacting with functional monomers. The adsorption kinetics and thermodynamics were investigated to evaluate the recombination process of substrates. In addition, the selectivity of MIPs for S‐DABN was obtained by MIP‐MTSPE coupled with HPLC, which supports the feasibility of this convenient design process. The proposed method was employed for selective extraction of S‐DABN and exhibited promising potential in the application of chiral analysis.
RWTH Aachen gewinnt Wettbewerb ChemCar 2021
Authors: Woppowa Ljuba 
Published: November 2021

AbstractAuch 2021 haben sich engagierte Jungingenieure am ChemCar‐Wettbewerb beteiligt. Im Rahmen der ECCE/ECAB wurden die Sieger gekürt. Über den ersten Platz und den Pokal konnte sich das Team der RWTH Aachen freuen, gefolgt vom Team des Institut Teknologi Sepuluh Nopember, ‐Surabaya in Indonesien und dem Team der Universitüt Dortmund auf dem zweiten und dritten Platz.
Tabernaesine J, a Novel Vincamine‐Type Indole Alkaloid with 6/5/6/6/6/5/5 Heptacyclic‐Ring System Scaffold from Tabernaemontana pachysiphon
Authors: Yi Wen‐Fang , Adelakun Tiwalade A. , Bai Xue , Zhang Yu , Hao Xiao‐Jiang 
Published: November 2021

Comprehensive SummaryTabernaesine J (1), an unprecedented vincamine‐type indole alkaloid with 6/5/6/6/6/5/5 heptacyclic‐ring system, as well as one new biogenetically related vincamine‐type indole alkaloid (2), were isolated from leaves of Tabernaemontana pachysiphon. Their structures were established by a combination of HRESIMS, NMR, single crystal X‐ray diffraction, and ECD calculation. The unprecedented penta‐lactone ring in tabernaesine J (1) was postulated to be derived from acetyl‐CoA enolate anion. Alkaloid 2 combined with fluconazole has the potential to overcome fluconazole resistance in Candida albicans.
An Approach to Reviewing Local Context for Exception from Informed Consent Trials Using a Single IRB
Authors: Johnson Ann R. , Rigtrup Lisa M. , VanBuren John , Rothwell Erin , Dean J. Michael 
Published: November 2021

AbstractIn the context of emergency research, researchers can ask the institutional review board (IRB) to waive the regulatory requirement that individuals provide informed consent when enrolling in research studies. A requirement of the waiver of informed consent is that the reviewing IRB must review and approve a community consultation and public disclosure plan. It is critical that an IRB serving as the single IRB (sIRB) for multisite research be thoroughly versed in the local context concerns for each participating site to determine whether the site's community is being adequately consulted about the research in which individuals will be enrolled under an exception to the informed consent requirement. We designed an sIRB review model for evaluating site‐specific community consultation plans that included a local evaluation and feedback step, and we piloted the model with a four‐site, pediatric exception from informed consent (EFIC) clinical trial. We identified three key roles for the model: the sIRB, the investigators, and the representative of the institution's human research protection program (HRPP). We successfully collected the information and local input needed to evaluate each site's community consultation plan and applied the information to a thorough IRB review, despite the geographic distance between the study site and the sIRB.
T cells expressing multiple co‐inhibitory molecules in acute malaria are not exhausted but exert a suppressive function in mice
Authors: Brandi Johannes , Lehmann Cari , Kaminski Lea‐Christina , Schulze zur Wiesch Julian , Addo Marylyn , Ramharter Michael , Mackroth Maria , Jacobs Thomas , Riehn Mathias 
Published: November 2021

AbstractOverwhelming activation of T cells in acute malaria is associated with severe outcomes. Thus, counter‐regulation by anti‐inflammatory mechanisms is indispensable for an optimal resolution of disease. Using Plasmodium berghei ANKA (PbA) infection of C57BL/6 mice, we performed a comprehensive analysis of co‐inhibitory molecules expressed on CD4+ and CD8+ T cells using an unbiased cluster analysis approach. We identified similar T cell clusters co‐expressing several co‐inhibitory molecules like programmed cell death protein 1 (PD‐1) and lymphocyte activation gene 3 (LAG‐3) in the CD4+ and the CD8+ T cell compartment. Interestingly, despite expressing co‐inhibitory molecules, which are associated with T cell exhaustion in chronic settings, these T cells were more functional compared to activated T cells that were negative for co‐inhibitory molecules. However, T cells expressing high levels of PD‐1 and LAG‐3 also conferred suppressive capacity and thus resembled type I regulatory T cells. To our knowledge, this is the first description of malaria‐induced CD8+ T cells with suppressive capacity. Importantly, we found an induction of T cells with a similar co‐inhibitory rich phenotype in Plasmodium falciparum‐infected patients. In conclusion, we demonstrate that malaria‐induced T cells expressing co‐inhibitory molecules are not exhausted, but acquire additional suppressive capacity, which might represent an immune regulatory pathway to prevent further activation of T cells during acute malaria.
Generation and characterization of air micro‐bubbles in highly hydrophobic capillaries
Authors: Renard Charly , Leclercq Laurent , Cottet Hervé 
Published: November 2021

AbstractThe generation of air microbubbles in microfluidic systems or in capillaries could be of great interest for transportation (single cell analysis, organite transportation) or for liquid compartmentation. The physicochemical characterization of air bubbles and a better understanding of the process leading to bubble generation during electrophoresis is also interesting in a theoretical point of view. In this work, the generation of microbubbles on hydrophobic Glaco™ coated capillaries has been studied in water‐based electrolyte. Air bubbles were generated at the detection window and the required experimental parameters for microbubbles generation have been identified. Generated bubbles migrated against the electroosmotic flow, as would do strongly negatively charged solutes, under constant electric field. They have been characterized in terms of dimensions, electrophoretic mobility, and apparent charge.
Multi‐objective optimization of main bearing assembly structure based on improved NSGA‐II
Authors: Zhao Xin , Su Tiexiong , Liu Xiaoyong , Zhang Xueqing 
Published: November 2021

AbstractMulti‐objective optimization of the main bearing assembly structure entails a high computational cost; moreover, the experimental measurement of the main‐bearing‐hole out‐of‐roundness has the problem of poor accuracy and inadequate repeatability. To address these issues, an improved NSGA‐II algorithm based on the fixed‐sized candidate set adaptive random testing (FSCS‐ART) algorithm and an adaptive strategy is proposed, and a more accurate method for measuring out‐of‐roundness based on the compensation method is developed. Accordingly, a mathematical model and a parametric model are established for optimization. Finally, the optimal design scheme is obtained by solving with the improved NSGA‐II algorithm. The results show that the proposed out‐of‐roundness measurement method has a high accuracy, with <5% error. The improved NSGA‐II algorithm exhibits a better solution convergence compared with the original algorithm does. The optimized solution of the improved NSGA‐II algorithm has a higher fitness when the two algorithms evolve to the same generation in the late stage, and the distribution of the Pareto optimal of the improved algorithm solution is closer to the Pareto frontier. After optimization, the stresses at the danger areas of the engine block and bearing cap are reduced by 13.67% and 6.71%, respectively. The out‐of‐roundness of the main bearing hole is reduced by 14.13%, and the maximum contact pressure on the dangerous contact surface is reduced by 14.08%. This study makes a significant contribution to the design of internal combustion engines because it facilitates the development of high‐power diesel engines by optimizing the reliability of the main bearing assembly structure.
On accurate time integration for temperature evolutions in additive manufacturing
Authors: Kollmannsberger Stefan , Kopp Philipp 
Published: November 2021

AbstractWe investigate two numerical challenges in thermal finite element simulations of laser powder bed fusion (LPBF) processes. First, we compare the behavior of first‐ and second‐order implicit time‐stepping schemes on a fixed domain. While both methods yield comparable accuracies in the pre‐asymptotic regime, the second‐order method eventually outperforms the first‐order method. However, the oscillations present in the pre‐asymptotic range of the second‐order method can render it less suitable for simulating LPBF processes. Then, we consider sudden domain extensions resulting from subsequently adding new layers of material with ambient temperature. We model this extension on the continuous level in an energy conservative manner. The discontinuities introduced here reduce the convergence order for both time‐stepping schemes to 0.75. First and second order accuracy could only be achieved by strongly grading the time‐steps towards the domain expansion.
SIRT1‐mediated deacetylation of FOXO3a transcription factor supports pro‐angiogenic activity of interferon‐deficient tumor‐associated neutrophils
Authors: Bordbari Sharareh , Mörchen Britta , Pylaeva Ekaterina , Siakaeva Elena , Spyra Ilona , Domnich Maksim , Droege Freya , Kanaan Oliver , Lang Karl Sebastian , Schadendorf Dirk , Lang Stephan , Helfrich Iris , Jablonska Jadwiga 
Published: November 2021

AbstractAngiogenesis plays an important role during tumor growth and metastasis. We could previously show that Type I interferon (IFN)‐deficient tumor‐associated neutrophils (TANs) show strong pro‐angiogenic activity, and stimulate tumor angiogenesis and growth. However, the exact mechanism responsible for their pro‐angiogenic shift is not clear. Here, we set out to delineate the molecular mechanism and factors regulating pro‐angiogenic properties of neutrophils in the context of Type I IFN availability. We demonstrate that neutrophils from IFN‐deficient (Ifnar1−/−) mice efficiently release pro‐angiogenic factors, such as VEGF, MMP9 or BV8, and thus significantly support the vascular normalization of tumors by increasing the maturation of perivascular cells. Mechanistically, we could show here that the expression of pro‐angiogenic factors in neutrophils is controlled by the transcription factor forkhead box protein O3a (FOXO3a), which activity depends on its post‐translational modifications, such as deacetylation or phosphorylation. In TANs isolated from Ifnar1−/− mice, we observe significantly elevated SIRT1, resulting in SIRT1‐mediated deacetylation of FOXO3a, its nuclear retention and activation. Activated FOXO3a supports in turn the transcription of pro‐angiogenic genes in TANs. In the absence of SIRT1, or after its inhibition in neutrophils, elevated kinase MEK/ERK and PI3K/AKT activity is observed, leading to FOXO3a phosphorylation, cytoplasmic transfer and inactivation. In summary, we have found that FOXO3a is a key transcription factor controlling the angiogenic switch of neutrophils. Post‐translational FOXO3a modifications regulate its transcriptional activity and, as a result, the expression of pro‐angiogenic factors supporting development of vascular network in growing tumors. Therefore, targeting FOXO3a activity could provide a novel strategy of antiangiogenic targeted therapy for cancer.
Transfer learning‐based platform for detecting multi‐classification retinal disorders using optical coherence tomography images
Authors: Saleh Neven , Abdel Wahed Manal , Salaheldin Ahmed M. 
Published: November 2021

AbstractOne of the primary concerns of computer‐aided diagnosis is the detection of retinal disorders. The study aims to categorize the patients into choroidal neovascularization, diabetic macular edema, drusen, and normal by using optical coherence tomography (OCT) images. For the first time, two novel transfer learning‐based techniques were used for retinal disorder classification: SqueezeNet and the Inception V3 Net. Two SqueezeNet scenarios were used to compare the performance of the original SqueezeNet and the improved one. A dataset of 11 200 OCT images was used for data partitioning of SqueezeNet and, meanwhile, 18 000 images for Inception V3 Net. The modified SqueezeNet achieved 98% accuracy, a 1.2% improvement over the original. The Inception V3 Net classifier improved its classification accuracy to 98.4%. When compared to other classifiers and a human expert, the transfer learning approach demonstrated its robustness in the challenge of retinal disorders classification with a large dataset.
Concentrated phases of an ionic surfactant (Aerosol OT) in polar solvents
Authors: Berrellez Daniel , Tánori Judith , Acedo‐Mendoza Alan German , Maldonado Amir 
Published: November 2021

AbstractWe have studied concentrated phases of Aerosol OT (AOT) in polar (water, ethylene glycol, formamide, N,N‐dimethylformamide) and apolar (isooctane) solvents. We investigated two surfactant volume fractions (φ = 0.2 and φ = 0.6) with small angle x‐ray scattering (SAXS), rheology and electrical conductivity experiments. AOT self‐assembles differently depending on solvent type and concentration. SAXS experiments show that the AOT/water system displays a lamellar phase. In the other cases, only formamide displays a lamellar phase for φ = 0.6. The other solvents (and formamide at φ = 0.2) promote the self‐assembly of AOT in other microstructures. The SAXS spectra display correlation peaks consistent with a disordered array of cylindrical aggregates. The microstructure of the AOT/isooctane system at φ = 0.2 is that of an arrangement of spherical aggregates. The results are explained in terms of surfactant packing models and solvent properties. For instance, the ability of ethylene glycol to form hydrogen bonds with AOT promotes the formation of cylindrical aggregates by increasing the area per surfactant polar head. As N,N‐dimethylformamide is slightly miscible in hydrocarbons it increases the volume of the surfactant tail promoting reverse structures.
Preparation, Characterization, and Biological Evaluation of Transparent Thin Carboxymethyl‐Chitosan/Oxidized Carboxymethyl Cellulose Films as New Wound Dressings
Authors: Jiang Zhiwen , Wang Yanting , Li Lulu , Hu Huiwen , Wang Shuo , Zou Mingyu , Liu Wanshun , Han Baoqin 
Published: November 2021

AbstractFull thickness burns in which the damage penetrates deep into the skin layers and reaches underneath the muscle, compel the need for more effective cure. Herein, cross‐linked carboxymethyl‐chitosan (CM‐chitosan) films, prepared by Schiff base association with oxidized carboxymethyl cellulose (OCMC), are investigated regarding the wound healing capacity on full thickness burn injuries in vivo. Transparent thin CM‐chitosan/OCMC films are obtained with tensile strength reaching 6.11 MPa, elongation at break above 27%, and water absorption more than 800%, which operates in favor of absorbing excess exudate and monitoring the wound status. Furthermore, the nonadherent CM‐chitosan/OCMC films, with satisfactory biodegradability, cell, and tissue compatibility, are readily used to the wound sites and easily removed following therapy on scalded tissue so as to alleviate the suffering from burn. The films efficiently promote epithelial and dermal regeneration compared to the control, achieving 75.9% and 94.4% wound closure, respectively, after 14 and 27 days. More importantly, CM‐chitosan/OCMC films accelerate wound healing with natural mechanisms which include controlling inflammatory response, reducing apoptosis, promoting fibroblast cell proliferation, and collagen formation. In conclusion, the CM‐chitosan/OCMC films elevate the repair ratio of burn injuries and have great potential for facilitating the healing process on full‐thickness exuding wounds.