bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering elastic sealants based on gelatin and elastin‐like polypeptides for endovascular anastomosis
Authors: Unal Gokberk , Jones Jesse , Baghdasarian Sevana , Kaneko Naoki , Shirzaei Sani Ehsan , Lee Sohyung , Gholizadeh Shima , Tateshima Satoshi , Annabi Nasim 
Published: July 2021

AbstractCerebrovascular ischemia from intracranial atherosclerosis remains difficult to treat. Although current revascularization procedures, including intraluminal stents and extracranial to intracranial bypass, have shown some benefit, they suffer from perioperative and postoperative morbidity. To address these limitations, here we developed a novel approach that involves gluing of arteries and subsequent transmural anastomosis from the healthy donor into the ischemic recipient. This approach required an elastic vascular sealant with distinct mechanical properties and adhesion to facilitate anastomosis. We engineered two hydrogel‐based glues: an elastic composite hydrogel based on methacryloyl elastin‐like polypeptide (mELP) combined with gelatin methacryloyl (GelMA) and a stiff glue based on pure GelMA. Two formulations with distinct mechanical characteristics were necessary to achieve stable anastomosis. The elastic GelMA/mELP composite glue attained desirable mechanical properties (elastic modulus: 288 ± 19 kPa, extensibility: 34.5 ± 13.4%) and adhesion (shear strength: 26.7 ± 5.4 kPa) to the blood vessel, while the pure GelMA glue exhibited superior adhesion (shear strength: 49.4 ± 7.0 kPa) at the cost of increased stiffness (elastic modulus: 581 ± 51 kPa) and reduced extensibility (13.6 ± 2.5%). The in vitro biocompatibility tests confirmed that the glues were not cytotoxic and were biodegradable. In addition, an ex vivo porcine anastomosis model showed high arterial burst pressure resistance of 34.0 ± 7.5 kPa, which is well over normal (16 kPa), elevated (17.3 kPa), and hypertensive crisis (24 kPa) systolic blood pressures in humans. Finally, an in vivo swine model was used to assess the feasibility of using the newly developed two‐glue system for an endovascular anastomosis. X‐ray imaging confirmed that the anastomosis was made successfully without postoperative bleeding complications and the procedure was well tolerated. In the future, more studies are required to evaluate the performance of the developed sealants under various temperature and humidity ranges.
The mediating role of national identification, binding foundations and perceived threat on the relationship between need for cognitive closure and prejudice against migrants in Malta
Authors: Bianco Fleur , Kosic Ankica , Pierro Antonio 
Published: July 2021

AbstractWhat mitigates the relationship between need for cognitive closure and prejudice against migrants? Addressing this question, we explored how national identification, endorsing binding moral foundations and the perception of threat mediate the relationship between need for cognitive closure and prejudice against migrants in Malta. It was hypothesized that individuals with a high need for cognitive closure are more prone to identify with being Maltese and more probable to endorse binding moral foundations and perceive high threat from migrants, leading to a more prejudiced attitude towards migrants living in Malta. Two hundred and twenty‐two individuals participated in this quantitative study. Results from this study showed that national identification, binding moral foundations and perceived threat mediate the relationship between need for cognitive closure and prejudice against migrants. The implications of the findings for theories about how need for cognitive closure contributes to increased prejudiced attitude in native population is discussed. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Pseudotsuga menziesii (Pinaceae): Volatile Profiles, Antimicrobial Activity and Toxicological Evaluation of Its Essential Oil
Authors: Mitić Zorica S. , Stojanović‐Radić Zorica , Cvetković Vladimir J. , Jovanović Snežana Č. , Dimitrijević Marina , Ickovski Jovana D. , Jovanović Nikola , Mihajilov‐Krstev Tatjana , Stojanović Gordana S. 
Published: July 2021

AbstractThe present article investigates the chemical composition of volatiles of essential oil (EO) and headspace (HS) fraction, as well as biological activities of EO obtained from needles with twigs of Pseudotsuga menziesii var. menziesii cultivated in Serbia. The major class of compounds was monoterpene hydrocarbons with α‐terpinolene, sabinene and β‐pinene (EO), and sabinene, α‐terpinolene and β‐pinene (HS) as the dominant volatiles. Tested EO exhibited mostly low antimicrobial potential against investigated strains (ATCC and respiratory isolates), where MICs ranged 1.25–20.00 mg/mL. Nevertheless, based on presented results, where antimicrobial testing was done for the first time on human respiratory system isolates, there is a potential of this EO to be used as an adjuvant in the treatment of human respiratory infections, especially those caused by Pseudomonas aeruginosa or Candida albicans strains. Regarding toxicological evaluation, EO showed moderate toxicity in Artemia salina toxicity bioassay (LC50=347.41, after 24 h) as well as week toxicity against Drosophila melanogaster with the ability only to moderately delay larval and pupal development.
Protein Domain Specific Covalent Inhibition of Human DNA Polymerase β
Authors: Yuhas Shelby C. , Majumdar Ananya , Greenberg Marc M. 
Published: July 2021

AbstractDNA polymerase β (Pol β) is a frequently overexpressed and/or mutated bifunctional repair enzyme. Pol β possesses polymerase and lyase active sites, that are employed in two steps of base excision repair. Pol β is an attractive therapeutic target for which there is a need for inhibitors. Two mechanistically inspired covalent inhibitors (1, IC50=21.0 μM; 9, IC50=18.7 μM) that modify lysine residues in different Pol β active sites are characterized. Despite modifying lysine residues in different active sites, 1 and 9 inactivate the polymerase and lyase activities of Pol β. Fluorescence anisotropy experiments indicate that they do so by preventing DNA binding. Inhibitors 1 and 9 provide the basis for a general approach to preparing domain selective inhibitors of bifunctional polymerases. Such molecules could prove to be useful tools for studying the role of wild type and mutant forms of Pol β and other polymerases in DNA repair.
Biohydrogen Production from Aquatic Plant and Algae Biomass by Enterobacter cloacae Strain DT‐1
Authors: Sarma Mrinal Kumar , Ramkumar N. , Subudhi Sanjukta 
Published: July 2021

AbstractProcess parameters were optimized for enzyme (textile‐grade enzymes) hydrolysis of Azolla, water hyacinth, and algae biomass for recovery of maximum sugar to be used as feed for biohydrogen production by Enterobacter cloacae strain DT‐1. Under optimum temperature and pH, the hydrogen yield in mole per mole of sugar from enzyme‐hydrolyzed water hyacinth biomass, Azolla biomass, and Spirulina and Scenedesmus biomass was determined with regard to cellulase, hemicellulase, amylase, pectinase, and xylanase. The maximum hydrogen yield was observed with hemicellulase‐treated Spirulina, Azolla, and Scenedesmus biomass.
Midkine Interaction with Chondroitin Sulfate Model Synthetic Tetrasaccharides and Their Mimetics: The Role of Aromatic Interactions
Authors: García‐Jiménez María José , Gil‐Caballero Sergio , Maza Susana , Corzana Francisco , Juárez‐Vicente Francisco , Miles Jonathan R. , Sakamoto Kazuma , Kadomatsu Kenji , García‐Domínguez Mario , de Paz José L. , Nieto Pedro M. 
Published: July 2021

AbstractMidkine (MK) is a neurotrophic factor that participates in the embryonic central nervous system (CNS) development and neural stem cell regulation, interacting with sulfated glycosaminoglycans (GAGs). Chondroitin sulfate (CS) is the natural ligand in the CNS. In this work, we describe the interactions between a library of synthetic models of CS‐types and mimics. We did a structural study of this library by NMR and MD (Molecular Dynamics), concluding that the basic shape is controlled by similar geometry of the glycosidic linkages. Their 3D structures are a helix with four residues per turn, almost linear. We have studied the tetrasaccharide‐midkine complexes by ligand observed NMR techniques and concluded that the shape of the ligands does not change upon binding. The ligand orientation into the complex is very variable. It is placed inside the central cavity of MK formed by the two structured beta‐sheets domains linked by an intrinsically disordered region (IDR). Docking analysis confirmed the participation of aromatics residues from MK completed with electrostatic interactions. Finally, we test the biological activity by increasing the MK expression using CS tetrasaccharides and their capacity in enhancing the growth stimulation effect of MK in NIH3T3 cells.
Bifunctional Polyene Cyclizations: Synthetic Studies on Pimarane Natural Products
Authors: Feilner Julian M. , Plangger Immanuel , Wurst Klaus , Magauer Thomas 
Published: July 2021

AbstractPolyene cyclizations generate molecular complexity from a linear polyene in a single step. While methods to initiate these cyclizations have been continuously expanded and improved over the years, the majority of polyene substrates are still limited to simple alkyl‐substituted alkenes. In this study, we took advantage of the unique reactivity of higher‐functionalized bifunctional alkenes. The realization of a polyene tetracyclization of a dual nucleophilic aryl enol ether involving a transannular endo‐termination step enabled the total synthesis of the tricyclic diterpenoid pimara‐15‐en‐3α‐8α‐diol. The highly flexible and modular route allowed for the preparation of a diverse library of cyclization precursors specifically designed for the total synthesis of the tetracyclic nor‐diterpenoid norflickinflimiod C. The tetracyclization of three diversely substituted allenes enabled access to complex pentacyclic products and provided a detailed insight into the underlying reaction pathways.
Low‐Cost Membranen für die Vanadium‐Redox‐Flow‐Batterie
Authors: Düerkop Dennis , Widdecke Hartmut , Kunz Ulrich , Schilde Carsten , Schmiemann Achim 
Published: July 2021

AbstractGewebeverstärkte Protonenaustauschermembranen (gPEM) werden durch die Verarbeitung einer Polymersuspension bestehend aus gelöstem Polyethersulfon (PES) und dispersem Polystyrol (vernetzt, sulfonyliert und sulfoniert) mit Polymergeweben hergestellt und charakterisiert. Unter Verwendung eines Gewebes aus Polyetheretherketon (PEEK) mit einer Dicke von 128 µm weisen die hergestellten gPEM gegenüber Selemion CMVN und Nafion N115 eine höhere Protonenleitfähigkeit bei 25 °C auf. Die Energieeffizienz der bei 100 mA cm−2 getesteten Vanadium‐Redox‐Flow‐Zelle liegt mit Nafion N115 bei 68,6 %, mit CMVN bei 53,1 % und mit gPEM bei 69,4 %.
Integration of NRP1, RGS5, and FOXM1 expression, and tumour necrosis, as a postoperative prognostic classifier based on molecular subtypes of clear cell renal cell carcinoma
Authors: Yoshida Takashi , Ohe Chisato , Ikeda Junichi , Atsumi Naho , Saito Ryoichi , Taniguchi Hisanori , Ohsugi Haruyuki , Sugi Motohiko , Tsuta Koji , Matsuda Tadashi , Kinoshita Hidefumi 
Published: July 2021

AbstractMolecular mechanisms of progression of clear cell renal cell carcinoma (ccRCC) have been proven with recent genomic or transcriptional analyses. However, it is still difficult to apply these analyses to daily clinical practice owing to economical and practical issues. Here, we established a pathology‐based, postoperative prognostic classification based on the well‐validated transcriptional classifier, ClearCode34, in ccRCC. A total of 342 cases with available tissue were identified and randomly allocated into a discovery cohort (n = 138) and a validation cohort (n = 204). Levels of mRNA were quantified using a nCounter Digital Analyzer, and the ccA/ccB subtypes were determined. Histological and immunohistochemistry (IHC) analyses were subsequently performed to establish a pathology‐based classification based on the mRNA levels. Finally, the prognostic ability of the new classifier was evaluated in both the discovery and validation cohorts. Of 138 cases in the discovery cohort, 78 (56.5%) and 60 (43.5%) were assigned to the ccA and ccB subtypes, respectively. Proangiogenic genes, neuropilin 1 (NRP1) and regulator of G protein signalling 5 (RGS5), were especially overexpressed in all ccRCC samples and were enriched in ccA‐assigned tumours. Histologically, tumour necrosis and the sarcomatoid feature were associated with the ccB subtype. In IHC analyses, expression of NRP1, RGS5, and forkhead box M1 (FOXM1), an epithelial–mesenchymal transition‐related factor, significantly correlated with the ccA/ccB subtypes. Combining these three IHC factors and tumour necrosis, we developed the IHC/histology‐based classifier, which showed good concordance with the ClearCode34 classifier with an accuracy of 0.80. The established classification significantly stratified relapse‐free, cancer‐specific, and overall survival rates in both the discovery and validation cohorts. The novel molecular pathology classifier integrating NRP1, RGS5, FOXM1, and tumour necrosis may enable the stratification of oncological outcomes for patients with ccRCC undergoing resection surgery.
Development of AC265347‐Inspired Calcium‐Sensing Receptor Ago‐Positive Allosteric Modulators
Authors: Dinh Le Vi , DeBono Aaron , Keller Andrew N. , Josephs Tracy M. , Gregory Karen J. , Leach Katie , Capuano Ben 
Published: July 2021

AbstractThe calcium‐sensing receptor (CaSR) is a clinical target in the treatment of hyperparathyroidism and related diseases. However, clinical use of approved CaSR‐targeting drugs such as cinacalcet is limited due to adverse side effects including hypocalcaemia, nausea and vomiting, and in some instances, a lack of efficacy. The CaSR agonist and positive allosteric modulator (ago‐PAM), AC265347, is chemically distinct from clinically‐approved CaSR PAMs. AC265347 potently suppressed parathyroid hormone (PTH) release in rats with a lower propensity to cause hypocalcaemia compared to cinacalcet and may therefore offer benefits over current CaSR PAMs. Here we report a structure activity relationship (SAR) study seeking to optimise AC265347 as a drug candidate and disclose the discovery of AC265347‐like compounds with diverse pharmacology and improved physicochemical and drug‐like properties.
N‐(Anilinoethyl)amide Melatonergic Ligands with Improved Water Solubility and Metabolic Stability
Authors: Ferlenghi Francesca , Mari Michele , Gobbi Gabriella , Elisi Gian Marco , Mor Marco , Rivara Silvia , Vacondio Federica , Bartolucci Silvia , Bedini Annalida , Fanini Fabiola , Spadoni Gilberto 
Published: July 2021

AbstractThe MT2‐selective melatonin receptor ligand UCM765 (N‐(2‐((3‐methoxyphenyl)(phenyl)amino)ethyl)acetamide), showed interesting sleep inducing, analgesic and anxiolytic properties in rodents, but suffers from low water solubility and modest metabolic stability. To overcome these limitations, different strategies were investigated, including modification of metabolically liable sites, introduction of hydrophilic substituents and design of more basic derivatives. Thermodynamic solubility, microsomal stability and lipophilicity of new compounds were experimentally evaluated, together with their MT1 and MT2 binding affinities. Introduction of a m‐hydroxymethyl substituent on the phenyl ring of UCM765 and replacement of the replacement of the N,N‐diphenyl‐amino scaffold with a N‐methyl‐N‐phenyl‐amino one led to highly soluble compounds with good microsomal stability and receptor binding affinity. Docking studies into the receptor crystal structure provided a rationale for their binding affinity. Pharmacokinetic characterization in rats highlighted higher plasma concentrations for the N‐methyl‐N‐phenyl‐amino derivative, consistent with its improved microsomal stability and makes this compound worthy of consideration for further pharmacological investigation.
A Versatile Ambient‐to‐High‐Pressure Reaction Transmission Cell for in situ/operando Infrared Spectroscopic Investigations
Authors: Weiß Jana , Rautenberg Christine , Rall Thomas , Kubis Christoph , Kondratenko Evgenii , Bentrup Ursula , Brückner Angelika 
Published: July 2021

AbstractDesign and applications of an in‐house developed high pressure/high temperature transmission FTIR reaction cell are presented. By coupling with a mass spectrometer online analysis of product formation is possible enabling operando FTIR spectroscopic studies. The cell, made of stainless‐steel, has been designed to be operable at pressures up to 30 bar and temperatures between 22 °C and 300 °C. Long‐time tests, with no signs of damage of the cell and windows have been conducted at 15 bar and 250 °C. The performance of the cell was tested by studying three types of CO2 hydrogenation reactions (CO2 Fischer‐Tropsch synthesis, CO2 methanation, CO2 conversion to dimethyl ether) on selected catalyst systems by varying temperature and pressure. The operando spectroscopic measurements revealed reliable data which reflect the same trends as found by respective catalytic tests.
A Versatile Ambient‐to‐High‐Pressure Reaction Transmission Cell for in situ/operando Infrared Spectroscopic Investigations
Authors: Weiß Jana , Rautenberg Christine , Rall Thomas , Kubis Christoph , Kondratenko Evgenii , Bentrup Ursula , Brückner Angelika 
Published: July 2021

AbstractInvited for this month's cover is the group of Angelika Brücker at the Leibniz Institute for Catalysis in Rostock (Germany). The cover picture shows a self‐developed stainless‐steel reaction cell for operando transmission FTIR studies of heterogeneous catalytic gas‐phase reactions at pressures up to 30 bar and temperatures up to 300°C, which is connected to a mass spectrometer for online product analysis. The performance of the cell has been tested in three types of CO2 hydrogenation reactions (CO2 Fischer‐Tropsch synthesis, CO2 methanation, CO2 conversion to dimethyl ether) on various solid catalysts implemented as self‐supporting wafers. Catalytic data obtained with this cell showed the same trends as those measured in a fixed‐bed plug‐flow reactor, thus confirming their reliability. Read the full text of their Full Paper at 10.1002/cmtd.202100024.
Distress mediates the relationship between cognitive appraisal of medical care and benefit finding/posttraumatic growth in long‐term cancer survivors
Authors: Liu Zhunzhun , Doege Daniela , Thong Melissa S. Y. , Koch‐Gallenkamp Lena , Bertram Heike , Eberle Andrea , Holleczek Bernd , Nennecke Alice , Waldmann Annika , Zeißig Sylke Ruth , Pritzkuleit Ron , Arndt Volker 
Published: July 2021

BackgroundThe objective of this study was to ascertain long‐term cancer survivors' (LTCS') appraisal of medical care and how these perceptions may influence their health and well‐being, including benefit finding (BF) and posttraumatic growth (PTG).MethodsIn total, 6952 LTCS from a multiregional population‐based study in Germany completed the Benefit Finding Scale, the Posttraumatic Growth Inventory, the Questionnaire on Stress in Cancer, and self‐designed questions on cognitive appraisal of medical care. The authors explored the mediating role of distress between medical care appraisal and BF and PTG and the possible moderation of time since diagnosis in this relationship.RESULTSLTCS' medical care appraisals (“no unresolved/untreated symptoms,” “satisfaction with cancer care,” and “satisfaction with care for other diseases”) were positively associated with BF. PTG was positively associated with “no unresolved/untreated symptoms” and negatively associated with “satisfaction with care for other diseases.” Cancer distress partially mediated the associations between appraisals of medical care and BF, between “no unresolved/untreated symptoms” and PTG and between “satisfaction with care for other diseases” and PTG; whereas it totally mediated the association between “satisfaction with cancer care” and PTG. Time was a significant moderator in the model; the negative indirect effect of cognitive appraisal on BF and PTG through cancer distress weakened with longer time since diagnosis.ConclusionsCancer survivors' medical care appraisal is associated with their perceptions of BF and PTG through distress. Therefore, distress screening could be part of the regular workup to identify distressed cancer survivors who are not satisfied with medical care; these survivors may benefit from interventions to reduce distress and increase BF and PTG.
Exploring The Sequence of Electron Density Along The Chemical Reactions Between Carbonyl Oxides And Ammonia/Water Using Bond Evolution Theory
Authors: Adjieufack Abel Idrice , Bake Maraf Mbah , Nguimkeu Charnel Nguemo , Pilmé Julien , Ndassa Ibrahim Mbouombouo 
Published: July 2021

AbstractThe molecular mechanism of the reactions between four carbonyl oxides and ammonia/water are investigated using the M06‐2X functional together with 6‐311++G(d,p) basis set. The analysis of activation and reaction enthalpy shows that the exothermicity of each process increased with the substitution of electron donating substituents (methyl and ethenyl). Along each reaction pathway, two new chemical bonds C−N/C−O and O−H are expected to form. A detailed analysis of the flow of the electron density during their formation have been characterized from the perspective of bonding evolution theory (BET). For all reaction pathways, BET revealed that the process of C−N and O−H bond formation takes place within four structural stability domains (SSD), which can be summarized as follows: the depopulation of V(N) basin with the formation of first C−N bond (appearance of V(C,N) basin), cleavage of N−H bond with the creation of V(N) and V(H) monosynaptic basin, and finally the V(H,O) disynaptic basin related to O−H bond. On the other hand, in the case of water, the cleavage of O−H bond with the formation of V(O) and V(H) basins is the first stage, followed by the formation of the O−H bond as a second stage, and finally the creation of C−O bond.
Understanding the Molecular Origin of the Collective Movement in a Diarylethene‐based Photo‐Responsive Actuator
Authors: Amirjalayer Saeed 
Published: July 2021

AbstractRemotely controlling macroscopic movement is one of the key elements to realize intelligent materials for applications ranging from sensing to robotics. Over the last few years, a number of photomechanical materials based on diarylethene derivatives have been developed. However, a detailed picture of the structural evolution within these soft actuators is often missing. In this work, an atomistic investigation uncovers how the photo‐induced molecular dynamics propagates to large‐scale motion and results in macroscopic deformation of the crystal. By correlating the intramolecular rearrangement within the photo‐responsive switching unit with the intermolecular packing, the molecular mechanism for the photomechanical phenomena is deciphered, which is fundamental for a rational development of photo‐responsive actuators.
Mechanochemical Process to Construct Porous Ionic Polymers by Menshutkin Reaction
Authors: Hou Shengtai , Meng Minshan , Liu Dandan , Zhang Pengfei 
Published: July 2021

AbstractAbstract: The synthesis of porous ionic polymers (PIPs) via the Menshutkin reaction is intriguing because the reaction works smoothly in catalyst‐free condition with 100 % atom utilization. However, the rotation of methane site, nonrigid knots, and charge interaction all may cause collapses of the channel, which is detrimental to the synthesis PIP in solid‐state conditions. In this work, an inorganic salt (NaBr, NaCl: pollution‐free and easy to recycle) was rationally chosen as the hard template and effectively prevented the intermolecular packing. Moreover, the increased surface area dramatically promoted the catalytic activity of PIP for cyclic carbonate synthesis. This work provides a green and efficient strategy to construct PIPs via the Menshutkin reaction.