bluuebunny/crossref_metadata_2025_split huggingface dataset:
American College of Rheumatology Guidance for COVID‐19 Vaccination in Patients With Rheumatic and Musculoskeletal Diseases: Version 3
Authors: Curtis Jeffrey R. , Johnson Sindhu R. , Anthony Donald D. , Arasaratnam Reuben J. , Baden Lindsey R. , Bass Anne R. , Calabrese Cassandra , Gravallese Ellen M. , Harpaz Rafael , Kroger Andrew , Sadun Rebecca E. , Turner Amy S. , Williams Eleanor Anderson , Mikuls Ted R. 
Published: August 2021

ObjectiveTo provide guidance to rheumatology providers on the use of coronavirus disease 2019 (COVID‐19) vaccines for patients with rheumatic and musculoskeletal diseases (RMDs).MethodsA task force was assembled that included 9 rheumatologists/immunologists, 2 infectious disease specialists, and 2 public health physicians. After agreeing on scoping questions, an evidence report was created that summarized the published literature and publicly available data regarding COVID‐19 vaccine efficacy and safety, as well as literature for other vaccines in RMD patients. Task force members rated their agreement with draft consensus statements on a 9‐point numerical scoring system, using a modified Delphi process and the RAND/University of California Los Angeles Appropriateness Method, with refinement and iteration over 2 sessions. Consensus was determined based on the distribution of ratings.ResultsDespite a paucity of direct evidence, 74 draft guidance statements were developed by the task force and agreed upon with consensus to provide guidance for use of the COVID‐19 vaccines in RMD patients and to offer recommendations regarding the use and timing of immunomodulatory therapies around the time of vaccination.ConclusionThese guidance statements, made in the context of limited clinical data, are intended to provide direction to rheumatology health care providers on how to best use COVID‐19 vaccines and to facilitate implementation of vaccination strategies for RMD patients.
Experimental and Theoretical Study on the Interchange between Zr and Ti within the MIL‐125‐NH2 Metal Cluster
Authors: Zeama Mostafa , Morsy Mohamed A. , Abdelnaby Mahmoud , Gutiérrez‐Arzaluz Luis , Mohammed Omar F. , Yamani Zain H. 
Published: August 2021

AbstractThis study aims to investigate the effect of replacing Ti with Zr in the SBU of MIL‐125‐NH2. We were able to replace Ti with Zr in the mixed metal synthesis of MIL‐125‐NH2, for the first time. After experimentally confirming the consistency in their framework structure and comparing their morphology, we related the femtosecond light dynamics with photocatalytic CO2 visible light conversion yield of the different variants in order to establish the composition‐function relation in MIL‐125 vis a vis CO2 reduction. Introducing Zr to the system was found to cause structure defects due to missing linkers. The lifetime of the charge carriers for the mixed metal samples were shorter than that of the MIL‐125‐NH2. The study of CO2 photocatalytic reduction under visible light indicated that the NH2 group enhances the photocatalytic activity while the Zr incorporation inside the MIL framework introduces no significant improvements. In addition, the material systems were modelled and simulated through DFT calculations which concluded that the decrease of the photocatalytic activity is not related to the system electronic structure, insinuating that defects are the culprit.
Green synthesis and characterization of silver nanoparticles using Pteris vittata extract and their therapeutic activities
Authors: Jha Anal Kant , Zamani Sabiha , Kumar Antresh 
Published: August 2021

AbstractThe bacterial infections have been substantially increasing with higher mortality and new regimens required for their management. The present work deals with the green synthesis of silver nanoparticles (AgNPs) using leaf extract of Pteris vittata at pH 9.0. The AgNPs showed a single absorption peak at 407 nm. The morphology of AgNPs was found to be spherical in shape analyzed by scanning electron micrographs. The X‐ray diffraction studies revealed the face‐centered cubic structure of AgNPs with a 17‐nm average crystallite size. They showed the antimicrobial activity against Pseudomonas aeruginosa, and the cell growth was completely ceased at the minimum inhibitory concentration (MIC); 100 μg/mL, with rapidly decreased cell viability. This bactericidal effect was due to the enhancement of cell permeability caused by cell disruption. The AgNPs lead to show a promising antiquorum‐sensing activity by inhibition of toxin protease and pyocyanin in P. aeruginosa by 88% and, 94% respectively, at the sub‐MIC concentration (0.25× MIC). These results conclude that the green synthesis of AgNPs shows a promising antimicrobial and antivirulence activity against P. aeruginosa.
Immobilization of transgenic plant cells towards bioprinting for production of a recombinant biodefense agent
Authors: Varma Anika , Gemeda Hawi B. , McNulty Matthew J. , McDonald Karen A. , Nandi Somen , Knipe Jennifer M. 
Published: August 2021

AbstractTransgenic rice cells (Oryza sativa) producing recombinant butyrylcholinesterase (BChE) as a prophylactic/therapeutic against organophosphate nerve agent poisoning, cocaine toxicity, and neurodegenerative diseases like Alzheimer's were immobilized in a polyethylene glycol‐based hydrogel. The cells were sustained for 14 days in the semi‐solid matrix, undergoing a growth phase from days 0–6, a BChE production phase in sugar‐free medium from days 6–12, and a growth/recovery phase from days 12–14. Throughout this period, the cells maintained similar viability to those in suspension cultures and displayed analogous sugar consumption trends. The rice cells in the hydrogel also produced a significant amount of active BChE, comparable to the levels produced in liquid cultures. A considerable fraction of this BChE was secreted into the media, allowing for easier product separation. To the best of our knowledge, this proof‐of‐concept is the first report of immobilization of recombinant plant cells for continuous production of high‐value heterologous proteins. This work serves as a foundation for further investigation towards plant cell bioprinting and the development of a simple, efficient, robust, modular, and potentially field‐deployable bioreactor system for the manufacture of biologics.
PVA based nanofiber containing cellulose modified with graphitic carbon nitride/nettles/trachyspermum accelerates wound healing
Authors: Nemati Danial , Ashjari Mohsen , Rashedi Hamid , Yazdian Fatemeh , Navaei‐Nigjeh Mona 
Published: August 2021

AbstractToday, bacterial cellulose has received a great deal of attention for its medical applications due to its unique structural properties such as high porosity, good fluid uptake, good strength, and biocompatibility. This study aimed to fabricate and study bacterial cellulose/graphitic carbon nitride/nettles/trachyspermum nanocomposite by immersion and PVA/BC/g‐C3N4/nettles/trachyspermum nanofiber by electrospinning method as a wound dressing. The g‐C3N4 and g‐C3N4 solution were synthesized and then were characterized using Fourier transform infrared, X‐ray diffraction, Zeta Potential, and scanning electronic microscope analyzes. Also, the antibacterial properties of the synthesized materials were proved by gram‐positive and gram‐negative bacteria using the minimum inhibitory concentration method. Besides, the toxicity, migration, and cell proliferation results of the synthesized materials on NIH 3T3 fibroblasts were evaluated using MTT and scratch assays and showed that the BC/PVA/g‐C3N4/nettles/trachyspermum composite not only had no toxic effect on cells but also contributed to cell survival, cell migration, and proliferation has done. To evaluate the mechanical properties, a tensile strength test was performed on PVA/BC/g‐C3N4/nettles/trachyspermum nanofibers, and the results showed good strength of the nanocomposite. In addition, in vivo assay, the produced nanofibers were used to evaluate wound healing, and the results showed that these nanofibers were able to accelerate the wound healing process so that after 14 days, the wound healing percentage showed 95%. Therefore, this study shows that PVA/BC/g‐C3N4/nettles/trachyspermum nanofibers effectively inhibit bacterial growth and accelerate wound healing.
MAGE‐C3 promotes cancer metastasis by inducing epithelial‐mesenchymal transition and immunosuppression in esophageal squamous cell carcinoma
Authors: Wu Qingnan , Zhang Weimin , Wang Yan , Min Qingjie , Zhang Hongyue , Dong Dezuo , Zhan Qimin 
Published: August 2021

AbstractBackgroundEvading immune surveillance is necessary for tumor metastasis. Thus, there is an urgent need to better understand the interaction between metastasis and mechanisms of tumor immune evasion. In this study, we aimed to clarify a novel mechanism that link tumor metastasis and immunosuppression in the development of esophageal squamous cell carcinoma (ESCC).MethodsThe expression of melanoma‐associated antigen C3 (MAGE‐C3) was detected using immunohistochemistry. Transwell assays were used to evaluate the migration and invasion ability of esophageal squamous cell carcinoma (ESCC) cells. Metastasis assays in mice were used to evaluate metastatic ability in vivo. Lymphocyte‐mediated cytotoxicity assays were performed to visualize the immune suppression function on tumor cells. RNA sequencing was performed to identify differentially expressed genes between MAGE‐C3 overexpressing ESCC cells and control cells. Gene ontology (GO) enrichment analyses was performed to identify the most altered pathways influenced by MAGE‐C3. The activation of the interferon‐γ (IFN‐γ) pathway was analyzed using Western blotting, GAS luciferase reporter assays, immunofluorescence, and flow cytometry. The role of MAGE‐C3 in the IFN‐γ pathway was determined by Western blotting and immunoprecipitation. Furthermore, immunohistochemistry and flow cytometry analysis monitored the changes of infiltrated T cell populations in murine lung metastases.ResultsMAGE‐C3 was overexpressed in ESCC tissues. High expression of MAGE‐C3 had a significant association with the risk of lymphatic metastasis and poor survival in patients with ESCC. Functional experiments revealed that MAGE‐C3 promoted tumor metastasis by activating the epithelial‐mesenchymal transition (EMT). MAGE‐C3 repressed antitumor immunity and regulated cytokine secretion of T cells, implying an immunosuppressive function. Mechanistically, MAGE‐C3 facilitated IFN‐γ signaling and upregulated programmed cell death ligand 1 (PD­L1) by binding with IFN‐γ receptor 1 (IFNGR1) and strengthening the interaction between IFNGR1 and signal transducer and activator of transcription 1 (STAT1). Interestingly, MAGE‐C3 displayed higher tumorigenesis in immune‐competent mice than in immune‐deficient nude mice, confirming the immunosuppressive role of MAGE‐C3. Furthermore, mice bearing MAGE‐C3‐overexpressing tumors showed worse survival and more lung metastases with decreased CD8+ infiltrated T cells and increased programmed cell death 1 (PD‐1)+CD8+ infiltrated T cells.ConclusionMAGE‐C3 enhances tumor metastasis through promoting EMT and protecting tumors from immune surveillance, and could be a potential prognostic marker and therapeutic target.
Dysregulated zinc and sphingosine‐1‐phosphate signaling in pulmonary hypertension: Potential effects by targeting of bone morphogenetic protein receptor type 2 in pulmonary microvessels
Authors: Tran Hai B. , Maiolo Suzanne , Harper Rebecca , Zalewski Peter D. , Reynolds Paul N. , Hodge Sandra 
Published: August 2021

AbstractRecently identified molecular targets in pulmonary artery hypertension (PAH) include sphingosine‐1‐phosphate (S1P) and zinc transporter ZIP12 signaling. This study sought to determine linkages between these pathways, and with BMPR2 signaling. Lung tissues from a rat model of monocrotaline‐induced PAH and therapeutic treatment with bone marrow–derived endothelial‐like progenitor cells transduced to overexpress BMPR2 were studied. Multifluorescence quantitative confocal microscopy (MQCM) was applied for analysis of protein expression and localization of markers of vascular remodeling (αSMA and BMPR2), parameters of zinc homeostasis (zinc transporter SLC39A/ZIP family members 1, 10, 12 and 14; and metallothionein MT3) and S1P extracellular signaling (SPHK1, SPNS2, S1P receptor isoforms 1, 2, 3, 5) in 20–200 µm pulmonary microvessels. ZIP12 expression in whole lung tissue lysates was assessed by western blot. Spearman nonparametric correlations between MQCM readouts and hemodynamic parameters, Fulton index (FI), and right ventricular systolic pressure (RVSP) were measured. In line with PAH status, pulmonary microvessels in monocrotaline‐treated animals demonstrated significant (p < .05, n = 6 per group) upregulation of αSMA (twofold) and downregulation of BMPR2 (20%). Upregulated ZIP12 (92%), MT3 (57.7%), S1PR2 (54.8%), and S1PR3 (30.3%) were also observed. Significant positive and negative correlations were demonstrated between parameters of zinc homeostasis (ZIP12, MT3), S1P signaling (S1PRs, SPNS2), and vascular remodeling (αSMA, FI, RVSP). MQCM and western blot analysis showed that monocrotaline‐induced ZIP12 upregulation could be partially negated by BMPR2‐targeted therapy. Our results indicate that altered zinc transport/storage and S1P signaling in the monocrotaline‐induced PAH rat model are linked to each other, and could be alleviated by BMPR2‐targeted therapy.
Evaluation of a suspended radiation protection system to reduce operator exposure in cardiology interventional procedures
Authors: Zanca Federica , Dabin Jérémie , Collard Celine , Alexandre Nicolas , De Groote Alicia , Salembier Jean Paul , Henry Michel , Rombaut Emmanuel , Sghaier Sonia , Massart Pierre‐Emmanuel 
Published: August 2021

AbstractObjectivesTo investigate a novel suspended radiation shield (ZG), in reducing operator radiation exposure during cardiology interventions.BackgroundRadiation exposure to the operator remains an occupational health hazard in the cardiac catheterization laboratory.MethodsAn anthropomorphic mannequin simulating an operator was placed near a phantom, simulating a patient. To measure the operator dose reduction, thermoluminescent detectors (TLDs) were inserted into the head and into the eye bulbs of the mannequin, while electronic dosimeters were positioned on the temple and at the level of the thyroid. Measurements were performed without and with the ZG system in place.Physician exposure was subsequently prospectively measured on the torso, on the left eye and on upper arm using the same electronic dosimeters, during clinical procedures (coronary angiography (CA) and percutaneous coronary intervention (PCI)). The physicians dose reduction was assessed by comparing operator dose when using traditional radioprotection garments (Phase 0) versus using the ZG system (Phase 1).ResultsDose reductions as measured on the mannequin ranged from 66% to the head, to 100% to the torso. No dose was detected at the level of the torso and thyroid with ZG.When comparing CA and PCI procedures between Phase 0 and Phase 1, a significant difference (p < 0.001) was found for the left eye and the left wrist. Dose reduction as measured during clinical procedures for left eye/upper arm were on average 78.9%/95.6% for CA and 83.0%/93.0% for PCI, respectively (p < 0.001 for both).ConclusionsThe ZG systems has a great potential to significantly reduce operator dose through the creation of a nearly zero‐radiation work environment.
Hydrodynamic Characterization of a Non‐conventional Photobioreactor
Authors: Weck Klara , Calvo Sébastien , Delafosse Angélique , Toye Dominique 
Published: August 2021

AbstractHydrodynamics plays a key role in photobioreactor scale‐up as it influences mixing and light supply. The single‐phase flow of a fluidized‐bed photobioreactor was characterized by two‐dimensional particle image velocimetry (PIV) measurements on five planes. The flow regime is unusual as it is laminar and unsteady. As a result, an average flow was calculated on 500 images captured during 100 s. Comparison between the three‐dimensional computational fluid dynamics (CFD) simulations and PIV results provides three main findings: The CFD model fully characterizes the laminar unsteady nature of the flow. It properly describes the flow structures in both the descending and ascending sections of the reactor. Finally, the very good agreement between the mean and root mean square velocity profiles obtained by CFD and PIV allows the quantitative validation of the model.
NO Removal on Activated Coke Mixed with Steel Slag and Coke Powder
Authors: Han Yunlong , Yang Xiaobai , Qian Fuping , Hu Yongmei 
Published: August 2021

AbstractThe low temperature of sintering flue gas limits the application of common vanadium‐ and titanium‐based catalysts if flue gas is not reheated. In this study, cylindrically molded activated coke was prepared from steel slag and coke powder of an iron and steel plant for low‐temperature denitration. The fraction of activated coke precursor and activation conditions were optimized by orthogonal experiments and the response surface method, respectively. Denitration tests on low‐temperature simulated sintering flue gas and characterization of the physical and chemical properties of the activated coke were carried out. Fe2O3 of steel slag showed catalytic reductive activity.
Effectiveness of the Oxygenation over Classical Protonolysis Reactions: A Case of Alkylzinc Complexes Incorporating an Aminoalcoholate Ligand
Authors: Zelga Karolina , Pietrzak Tomasz , Han Tomasz , Justyniak Iwona , Chwojnowska Elżbieta , Sobota Piotr , Lewiński Janusz 
Published: August 2021

AbstractAlkylzinc aminoalcoholates have emerged as powerful catalysts in organic synthesis and polymerization processes. Despite extensive research, difficulties in the rational design of these catalytic systems and in‐depth understanding of their modes of action have hitherto been encountered. Most of the major obstacles stem largely from the relatively limited knowledge of the structure‐activity relationship of zinc catalysts. In fact, the key active species are often generated in situ via the protonolysis of the alkylzinc precursors, which precludes their isolation and detailed characterization. Herein, the effectiveness of the oxygenation over the classical protonolysis in the synthesis of zinc alkylperoxides stabilized by an aminoalcoholate ligand is demonstrated. The controlled oxygenation of atert‐butylzinc complex incorporating a pridinolum (prinol) ligand leads to well‐defined a dinuclear adduct of a (prinol)ZnOOtBu moiety with the parenttBuZn(prinol) complex and a novel dimer [tBuOOZn(prinol)]2with terminal alkylperoxide groups. The observed reaction outcomes strongly depend on the reaction conditions. Although sparse examples of heteroleptic adducts of the [RZn(L)]x[ROOZn(L)]y‐type are known, the herein reported homoleptic [ROOZn(L)]xaggregate is unprecedented. Strikingly, comparative studies involving reactions betweentBuZn(prinol) andtert‐butylhydroperoxide or ethanol revealed that the respective seemingly simple zinc alkylperoxides, or zinc alkoxides, respectively, are not accessible via the classical alcoholysis. We believe that these game‐changing results concerning multifaceted chemistry of organozinc aminoalcoholates should pave the way for more rational development of various Zn‐based catalytic systems.
Large Isotope Effects in Organometallic Chemistry
Authors: Truong Phan T. , Miller Sophia G. , McLaughlin Sta. Maria Emily J. , Bowring Miriam A. 
Published: August 2021

AbstractThe kinetic isotope effect (KIE) is key to understanding reaction mechanisms in many areas of chemistry and chemical biology, including organometallic chemistry. This ratio of rate constants, kH/kD, typically falls between 1–7. However, KIEs up to 105 have been reported, and can even be so large that reactivity with deuterium is unobserved. We collect here examples of large KIEs across organometallic chemistry, in catalytic and stoichiometric reactions, along with their mechanistic interpretations. Large KIEs occur in proton transfer reactions such as protonation of organometallic complexes and clusters, protonolysis of metal–carbon bonds, and dihydrogen reactivity. C−H activation reactions with large KIEs occur with late and early transition metals, photogenerated intermediates, and abstraction by metal‐oxo complexes. We categorize the mechanistic interpretations of large KIEs into the following three types: (a) proton tunneling, (b) compound effects from multiple steps, and (c) semi‐classical effects on a single step. This comprehensive collection of large KIEs in organometallics provides context for future mechanistic interpretation.
Hexaphenylditetrels – When Longer Bonds Provide Higher Stability
Authors: Rummel Lars , Schümann Jan M. , Schreiner Peter R. 
Published: August 2021

AbstractWe present a computational analysis of hexaphenylethane derivatives with heavier tetrels comprising the central bond. In stark contrast to parent hexaphenylethane, the heavier tetrel derivatives can readily be prepared. In order to determine the origin of their apparent thermodynamic stability against dissociation as compared to the carbon case, we employed local energy decomposition analysis (LED) and symmetry‐adapted perturbation theory (SAPT) at the DLPNO‐CCSD(T)/def2‐TZVP and sSAPT0/def2‐TZVP levels of theory. We identified London dispersion (LD) interactions as the decisive factor for the molecular stability of heavier tetrel derivatives. This stability is made possible owing to the longer (than C−C) central bonds that move the phenyl groups out of the heavily repulsive regime so they can optimally benefit from LD interactions.
Autotandem Catalysis: Inexpensive and Green Access to Functionalized Ketones by Intermolecular Iron‐Catalyzed Amidoalkynylation/Hydration Cascade Reaction via N‐Acyliminium Ion Chemistry
Authors: Abdallahi Sidi Mohamed , Ewies Ewies F. , El‐Shazly Mohamed , Ould Elemine Brahim , Hadou Abderrahmane , Moncol Ján , Lawson Ata Martin , Daich Adam , Othman Mohamed 
Published: August 2021

AbstractIron‐based catalysts were applied in cascade‐type reactions for the synthesis of different carbonyl compounds. The reactions proceeded by a new iron‐catalyzed cascade of alkynylation/hydration by using both the σ‐ and π‐Lewis acid properties of iron salts. The alkynylation reactions of several endo and exocyclic acetoxylactams were achieved with three different catalysts including FeCl3 ⋅ 6H2O, FeCl3, and Fe(OTf)3 showing the efficiency of σ‐Lewis acidity of iron (III) salts in catalyzing the alkynylation reaction. We also demonstrated that the reaction sequence could be shortened by the direct use of hydroxylactams, leading to an environmentally friendly protocol, avoiding the need to perform unnecessary lengthy steps. A combination of the hard/soft iron Lewis acid properties was then used to implement an unprecedented tandem intermolecular alkynylation/intramolecular hydration sequence allowing expedient access to a new carbonyl structures from trivial materials.