bluuebunny/crossref_metadata_2025_split huggingface dataset:
α‐Glucosidase Inhibition by Usnic Acid Derivatives
Authors: Nguyen Huy Truong , Devi Asshaima Paramita , Nguyen Tran‐Van‐Anh , Chavasiri Warinthorn , Pham Duc‐Dung , Sichaem Jirapast , Nguyen Ngoc‐Hong , Huynh Bui‐Linh‐Chi , Nguyen Van‐Kieu , Duong Thuc Huy 
Published: February 2021

AbstractThis study investigated a set of new potential antidiabetes agents. Derivatives of usnic acid were designed and synthesized. These analogs and nineteen benzylidene analogs from a previous study were evaluated for enzyme inhibition of α‐glucosidase. Analogs synthesized using the Dakin oxidative method displayed stronger activity than the pristine usnic acid (IC50>200 μM). Methyl (2E,3R)‐7‐acetyl‐4,6‐dihydroxy‐2‐(2‐methoxy‐2‐oxoethylidene)‐3,5‐dimethyl‐2,3‐dihydro‐1‐benzofuran‐3‐carboxylate (6b) and 1,1′‐(2,4,6‐trihydroxy‐5‐methyl‐1,3‐phenylene)di(ethan‐1‐one) (6e) were more potent than an acarbose positive control (IC50 93.6±0.49 μM), with IC50 values of 42.6±1.30 and 90.8±0.32 μM, respectively. Most of the compounds synthesized from the benzylidene series displayed promising activity. (9bR)‐2,6‐Bis[(2E)‐3‐(2‐chlorophenyl)prop‐2‐enoyl]‐3,7,9‐trihydroxy‐8,9b‐dimethyldibenzo[b,d]furan‐1(9bH)‐one (1c), (9bR)‐3,7,9‐trihydroxy‐8,9b‐dimethyl‐2,6‐bis[(2E)‐3‐phenylprop‐2‐enoyl]dibenzo[b,d]furan‐1(9bH)‐one (1g), (9bR)‐2‐acetyl‐6‐[(2E)‐3‐(2‐chlorophenyl)prop‐2‐enoyl]‐3,7,9‐trihydroxy‐8,9b‐dimethyldibenzo[b,d]furan‐1(9bH)‐one (2d), (9bR)‐2‐acetyl‐6‐[(2E)‐3‐(3‐chlorophenyl)prop‐2‐enoyl]‐3,7,9‐trihydroxy‐8,9b‐dimethyldibenzo[b,d]furan‐1(9bH)‐one (2e), (6bR)‐8‐acetyl‐3‐(4‐chlorophenyl)‐6,9‐dihydroxy‐5,6b‐dimethyl‐2,3‐dihydro‐1H‐[1]benzofuro[2,3‐f][1]benzopyran‐1,7(6bH)‐dione (3e), (6bR)‐8‐acetyl‐6,9‐dihydroxy‐5,6b‐dimethyl‐3‐phenyl‐2,3‐dihydro‐1H‐[1]benzofuro[2,3‐f][1]benzopyran‐1,7(6bH)‐dione (3h), (6bR)‐3‐(2‐chlorophenyl)‐8‐[(2E)‐3‐(2‐chlorophenyl)prop‐2‐enoyl]‐6,9‐dihydroxy‐5,6b‐dimethyl‐2,3‐dihydro‐1H‐[1]benzofuro[2,3‐f][1]benzopyran‐1,7(6bH)‐dione (4b), and (9bR)‐6‐acetyl‐3,7,9‐trihydroxy‐8,9b‐dimethyl‐2‐[(2E)‐3‐phenylprop‐2‐enoyl]dibenzo[b,d]furan‐1(9bH)‐one (5c) were the most potent α‐glucosidase enzyme inhibitors, with IC50 values of 7.0±0.24, 15.5±0.49, 7.5±0.92, 10.9±0.56, 1.5±0.62, 15.3±0.54, 19.0±1.00, and 12.3±0.53 μM, respectively.
Chemical Investigation of Marine‐Derived Fungus Aspergillus flavipes for Potential Anti‐Inflammatory Agents
Authors: Tilvi Supriya , Parvatkar Rajesh , Singh Keisham S. , Devi Prabha 
Published: February 2021

AbstractThe marine fungus, Aspergillus flavipes (MTCC 5220), was isolated from the pneumatophore of a mangrove plant Acanthus ilicifolius found in Goa, India. The crude extract of A. flavipes was found to show anti‐inflammatory activity. It blocked interleukin‐6 (IL‐6) and tumor necrosis factor‐α (TNF‐α) production in lipopolysaccharide (LPS)‐activated THP‐1 cells with IC50 of 2.69±0.5 μM and 6.64±0.4 μM, respectively. The chemical investigation led to the isolation of optically inactive 4β‐[(1E)‐propen‐1‐yl]cyclopentane‐1β,2β‐diol (1) along with a new optically active diastereoisomeric compound, 4β‐[(1E)‐propen‐1‐yl]cyclopentane‐1β,2α‐diol (2). In addition, the fungus also produced known compounds (+)‐terrein (3), butyrolactone I (4) and butyrolactone II (5) in high yields. Among these, (+)‐terrein (3) exhibited IL‐6 and TNF‐α inhibition activity with IC50 of 8.5±0.68 μM and 15.76±0.18 μM, respectively, while butyrolactone I (4) exhibited IC50 of 12.03±0.85 μM (IL‐6) and 43.29±0.76 μM (TNF‐α) inhibition activity with low toxicity to host cells in LPS stimulated THP‐1 cells. This is the first report of the isolation and characterization of 4β‐[(1E)‐propen‐1‐yl]cyclopentane‐1β,2α‐diol (2). The structures of all the isolated compounds were elucidated on the basis of extensive detailed NMR spectroscopic data. Anti‐inflammatory activity of the fungi A. flavipes is presented here for the first time, which was due to (+)‐terrein and butyrolactone I, as the major constituents and they can be further explored in the therapeutic area.
Host–virus interaction and viral evasion
Authors: Strumillo Scheilla T. , Kartavykh Denis , de Carvalho  Fábio F. , Cruz Nicolly C. , de Souza Teodoro Ana C. , Sobhie Diaz Ricardo , Curcio Marli F. 
Published: February 2021

AbstractWith each infectious pandemic or outbreak, the medical community feels the need to revisit basic concepts of immunology to understand and overcome the difficult times brought about by these infections. Regarding viruses, they have historically been responsible for many deaths, and such a peculiarity occurs because they are known to be obligate intracellular parasites that depend upon the host's cell machinery for their replication. Successful infection with the production of essential viral components requires constant viral evolution as a strategy to manipulate the cellular environment, including host internal factors, the host's nonspecific and adaptive immune responses to viruses, the metabolic and energetic state of the infected cell, and changes in the intracellular redox environment during the viral infection cycle. Based on this knowledge, it is fundamental to develop new therapeutic strategies for controlling viral dissemination, by means of antiviral therapies, vaccines, or antioxidants, or by targeting the inhibition or activation of cell signaling pathways or metabolic pathways that are altered during infection. The rapid recovery of altered cellular homeostasis during viral infection is still a major challenge. Here, we review the strategies by which viruses evade the host's immune response and potential tools used to develop more specific antiviral therapies to cure, control, or prevent viral diseases.
Performance of quantitative flow ratio in patients with aortic stenosis undergoing transcatheter aortic valve implantation
Authors: Sejr‐Hansen Martin , Christiansen Evald Høj , Ahmad Yousif , Vendrik Jeroen , Westra Jelmer , Holm Niels R. , Thim Troels , Seligman Henry , Hall Kerry , Sen Sayan , Terkelsen Christian Juhl , Eftekhari Ashkan 
Published: February 2021

AbstractObjectivesThis study aims to evaluate the diagnostic performance of quantitative flow ratio (QFR) pre transcatheter aortic valve implantation (TAVI) in patients with aortic valve stenosis (AS) and coronary artery disease (CAD). Post‐TAVI fractional flow reserve (FFR) and instantaneous wave‐free ratio (iFR) was used as reference.BackgroundCAD is prevalent in patients with AS, but the hemodynamics of AS confounds evaluation using pressure wire‐based assessments. QFR might be less sensitive to the presence of AS thereby allowing for CAD evaluation before aortic valve replacement. Further, QFR does not require the use of pressure wire and therefore has the potential for reducing costs and complications related to insertion of a coronary pressure wire.MethodsThe diagnostic performance of QFR in coronary angiograms from 28 patients undergoing TAVI was evaluated. In all patients, both FFR and iFR were measured pre‐ and immediately post‐TAVI while QFR was measured pre‐TAVI.ResultsUsing post‐TAVI FFR and iFR as reference the diagnostic accuracy of pre‐TAVI QFR were 83% (95%CI; 68–97) and 52% (95%CI; 30–74) p = .008, respectively.ConclusionsPre‐TAVI QFR showed a good diagnostic performance using post‐TAVI FFR as reference. QFR could become a wire‐free, safe, and quick way of evaluating CAD in patients with severe AS undergoing TAVI.
Optimizing mechanical circulatory support hemodynamics using coronary sinus pacing
Authors: Tahir Hassan , Tonks Robert , Cox James , Baljepally Raj 
Published: February 2021

AbstractThe role of atrioventricular (AV) dyssynchrony as a cause of low Impella device output in cardiogenic shock from acute anterior myocardial infarction (MI) responding to reestablishing AV synchrony has not been previously reported. We present, for the first time, a unique case of AV dyssynchrony causing recurrent hypotension and ventricular fibrillation in such a patient, followed by immediate return to hemodynamic stability after restoring AV synchrony. Our case also highlights the novel use of a Damato multi‐polar catheter for coronary sinus pacing to achieve AV synchrony.
Influences of hydrothermal and pressure treatments on compositional and hydration properties of wheat bran and dough mixing properties of whole wheat meal
Authors: Lee Yu Young , Ma Fengyun , Byars Jeffrey A. , Felker Frederick C. , Liu Sean , Mosier Nathan S. , Lee Ji Hae , Kenar James A. , Baik Byung‐Kee 
Published: February 2021

AbstractBackground and objectivesWheat bran delivers many nutritional benefits to consumers but negatively affects dough mixing properties, subsequently decreasing product quality and acceptability. The effects of autoclaving, roasting, jet cooking, extrusion, puffing, and high‐temperature–high‐pressure (HTHP) cooking of wheat bran on its physical and functional properties and on dough mixing properties of whole wheat meal (WWM), prepared by blending flour and bran, were determined to identify appropriate bran pretreatment methods.FindingsWater absorption index, water retention capacity, and soluble dietary fiber (SDF) content of bran significantly increased by 0.3–1.0 g/g, 0.2–1.6 g/g, and 0.6%–1.7%, respectively, with all treatments. Bulk density and total phenolic content (TPC) of autoclaved, extruded, and HTHP‐cooked brans increased by 0.19–0.23 g/ml and 1.2–1.5 mg/g, respectively, while those of roasted and jet‐cooked brans decreased by 0.02–0.32 g/ml and 0.5–0.6 mg/g, respectively. Only extruded bran significantly increased midline peak time (MPT) of WWM by 0.5 min.ConclusionsExtrusion was most effective at increasing the TPC, SDF content, and bulk density of bran and the MPT of WWM.Significance and noveltyThe results catalog the changes in bran functional properties with each treatment and allow food manufacturers to identify the treatments that enhance bran characteristics necessary for making improved quality whole wheat foods.
Left‐sided appendicitis due to situs inversus totalis
Authors: Otsuka Yuki , Hayashi Ruiko , Urano Shinichi , Yashima Akihide , Nanba Yasuo , Otsuka Fumio 
Published: February 2021

AbstractSitus inversus may mimic the pain localization of acute abdomen. In patients with acute abdomen, especially elderly patients who are medically healthy, physicians should cautiously diagnose the etiology of acute abdomen in combination with imaging studies.
α‐tropomyosin gene (TPM3) mutation in an infant with nemaline myopathy
Authors: Almobarak Sulaiman , Hu Jonathan , Langdon Kristopher D. , Ang Lee‐Cyn , Campbell Craig 
Published: February 2021

AbstractWe report a case of neonatal nemaline myopathy with a de novoTPM3mutation, which has been classified as a likely pathogenic mutation. With the expanding use of genetic testing in congenital myopathies, genotype‐phenotype descriptions of novel variants are important to inform clinical care, diagnosis, genetic counseling, and management of disease.
Biodegradation of Used Motor Oil and Biofuel Production by Microalgae Coelastrella sp. M60 and Scenedesmus sp. VJ1
Authors: Vimali Elamathi , Jayaram Moorthy , Vignesh Nagamalai Sakthi , Ashokkumar Balasubramaniem , Ganeshmoorthy Innacimuthu , Sivasubramanian Velusamy , Varalakshmi Perumal 
Published: February 2021

AbstractMicroalgae are valuable biological resources for application in the fields of food, feed, fuel, and therapeutics. Recently, their usage was extended for their efficacy in bioremediation of pollutants. In this context, the degradation of used motor oil (UMO) and biodiesel production was performed with the freshwater microalgae Coelastrella sp. M60 and Scenedesmus sp. VJ1. Both microalgae were inoculated into a blue‐green 11 medium with different concentrations of UMO as carbon source. The obtained results indicated that microalgae grown in 5 % UMO yielded the maximum lipid content compared to the control and other treatments. TiO2 was selected as heterogeneous catalyst to examine the fatty acid methyl ester profile of the obtained lipid. The biodegradation of UMO by two different microalgae was also evaluated using GC‐MS analysis.
Chemical Bonding in Homoleptic Carbonyl Cations [M{Fe(CO)5}2]+(M=Cu, Ag, Au)
Authors: Pan Sudip , Gorantla Sai Manoj N. V. T. , Parasar Devaborniny , Dias H. V. Rasika , Frenking Gernot 
Published: February 2021

AbstractSyntheses of the copper and gold complexes [Cu{Fe(CO)5}2][SbF6] and [Au{Fe(CO)5}2][HOB{3,5‐(CF3)2C6H3}3] containing the homoleptic carbonyl cations [M{Fe(CO)5}2]+(M=Cu, Au) are reported. Structural data of the rare, trimetallic Cu2Fe, Ag2Fe and Au2Fe complexes [Cu{Fe(CO)5}2][SbF6], [Ag{Fe(CO)5}2][SbF6] and [Au{Fe(CO)5}2][HOB{3,5‐(CF3)2C6H3}3] are also given. The silver and gold cations [M{Fe(CO)5}2]+(M=Ag, Au) possess a nearly linear Fe‐M‐Fe’ moiety but the Fe‐Cu‐Fe’ in [Cu{Fe(CO)5}2][SbF6] exhibits a significant bending angle of 147° due to the strong interaction with the [SbF6]−anion. The Fe(CO)5ligands adopt a distorted square‐pyramidal geometry in the cations [M{Fe(CO)5}2]+, with the basal CO groups inclined towards M. The geometry optimization with DFT methods of the cations [M{Fe(CO)5}2]+(M=Cu, Ag, Au) gives equilibrium structures with linear Fe‐M‐Fe’ fragments andD2symmetry for the copper and silver cations andD4dsymmetry for the gold cation. There is nearly free rotation of the Fe(CO)5ligands around the Fe‐M‐Fe’ axis. The calculated bond dissociation energies for the loss of both Fe(CO)5ligands from the cations [M{Fe(CO)5}2]+show the order M=Au (De=137.2 kcal mol−1)>Cu (De=109.0 kcal mol−1)>Ag (De=92.4 kcal mol−1). The QTAIM analysis shows bond paths and bond critical points for the M−Fe linkage but not between M and the CO ligands. The EDA‐NOCV calculations suggest that the [Fe(CO)5]→M+←[Fe(CO)5] donation is significantly stronger than the [Fe(CO)5]←M+→[Fe(CO)5] backdonation. Inspection of the pairwise orbital interactions identifies four contributions for the charge donation of the Fe(CO)5ligands into the vacant (n)s and (n)p AOs of M+and five components for the backdonation from the occupied (n‐1)d AOs of M+into vacant ligand orbitals.
Circularly Polarized Luminescence of Achiral Metal–Organic Colloids and Guest Molecules in a Vortex Field
Authors: Huang Jian‐Cai , Ye Guang‐Ming , Yu Maoxing , Huang Ruishan , Zhao Zujin , Qin Anjun , Wu Shu‐Ting , Xie Zenghong 
Published: February 2021

AbstractRecently, scientists have reported a range of chiral fluorescence materials or chiral composites that can emit circularly polarized luminescence. Herein, two achiral metal–organic colloidal solutions were studied, showing active circularly polarized luminescence, which is observed in vortex stirring. The absolute values forglumare 0.05 and 0.03 and the plus or minus sign ofglumdepends on the colloidal structure and stirring direction, which make the property easy to manipulate. Further, the host–guest interaction study suggests both electrostatic interactions and coordination bonding may influence the chiroptical property from the colloidal solution to the guest molecule. Rhodamine 6G and its carboxylic acid derivative exhibit good quantum yields and acceptableglumvalues in the colloidal solution.
Early events in endothelial flow sensing
Authors: Tanaka Keiichiro , Joshi Divyesh , Timalsina Sushma , Schwartz Martin A. 
Published: February 2021

AbstractResponses of vascular and lymphatic endothelial cells (ECs) to fluid shear stress (FSS) from blood or lymphatic fluid flow govern the development, physiology, and diseases of these structures. Extensive research has characterized the signaling, gene expression and cytoskeletal pathways that mediate effects on EC phenotype and vascular morphogenesis. But the primary mechanisms by which ECs transduce the weak forces from flow into biochemical signals are less well understood. This review covers recent advances in our understanding of the immediate mechanisms of FSS mechanotransduction, integrating results from different disciplines, addressing their roles in development, physiology and disease, and suggesting important questions for future work.
Mechanistic Investigations of Metallo‐β‐lactamase Inhibitors: Strong Zinc Binding Is Not Required for Potent Enzyme Inhibition**
Authors: Wade Nicola , Tehrani Kamaleddin H. M. E. , Brüchle Nora C. , van Haren Matthijs J. , Mashayekhi Vida , Martin Nathaniel I. 
Published: February 2021

AbstractMetallo‐β‐lactamases (MBLs) are zinc‐dependent bacterial enzymes that inactivate essentially all classes of β‐lactam antibiotics including last‐resort carbapenems. At present there are no clinically approved MBL inhibitors, and in order to develop such agents it is essential to understand their inhibitory mechanisms. Herein, we describe a comprehensive mechanistic study of a panel of structurally distinct MBL inhibitors reported in both the scientific and patent literature. Specifically, we determined the half‐maximal inhibitory concentration (IC50) for each inhibitor against MBLs belonging to the NDM and IMP families. In addition, the binding affinities of the inhibitors for Zn2+, Ca2+ and Mg2+ were assessed by using isothermal titration calorimetry (ITC). We also compared the ability of the different inhibitors to resensitize a highly resistant MBL‐expressing Escherichia coli strain to meropenem. These investigations reveal clear differences between the MBL inhibitors studied in terms of their IC50 value, metal binding ability, and capacity to synergize with meropenem. Notably, our studies demonstrate that potent MBL inhibition and synergy with meropenem are not explicitly dependent on the capacity of an inhibitor to strongly chelate zinc.
Phenotypic Discovery of SB1501, an Anti‐obesity Agent, through Modulating Mitochondrial Activity
Authors: Jo Ala , Kim Mingi , Kim Jong In , Ha Jaeyoung , Hwang Yoon Soo , Nam Hyunsung , Hwang Injae , Kim Jae Bum , Park Seung Bum 
Published: February 2021

AbstractObesity has become a pandemic that threatens the quality of life and discovering novel therapeutic agents that can reverse obesity and obesity‐related metabolic disorders are necessary. Here, we aimed to identify new anti‐obesity agents using a phenotype‐based approach. We performed image‐based high‐content screening with a fluorogenic bioprobe (SF44), which visualizes cellular lipid droplets (LDs), to identify initial hit compounds. A structure‐activity relationship study led us to yield a bioactive compound SB1501, which reduces cellular LDs in 3T3‐L1 adipocytes without cytotoxicity. SB1501 induced the expression of gene products that regulate mitochondrial biogenesis and fatty acid oxidation in 3T3‐L1 adipocytes. Daily treatment with SB1501 improved the metabolic states of db/db mice by reducing body fat mass, adipose tissue mass, food intake, and increasing glucose tolerance. The anti‐obesity effect of SB1501 may result from perturbation of the PGC‐1α–UCP1 regulatory axis in inguinal white adipose tissue and brown adipose tissue. These data suggest the therapeutic potential of SB1501 as an anti‐obesity agent via modulating mitochondrial activities.
Multicenter study of risk factors of unplanned 30‐day readmissions in pediatric oncology
Authors: Hoenk Kamila , Torno Lilibeth , Feaster William , Taraman Sharief , Chang Anthony , Weiss Michael , Pugh Karen , Anderson Brittney , Ehwerhemuepha Louis 
Published: February 2021

AbstractBackgroundPediatric oncology patients have high rates of hospital readmission but there is a dearth of research into risk factors for unplanned 30‐day readmissions among this high‐risk population.AimIn this study, we built a statistical model to provide insight into risk factors of unplanned readmissions in this pediatric oncology.MethodsWe retrieved 32 667 encounters from 10 418 pediatric patients with a neoplastic condition from 16 hospitals in the Cerner Health Facts Database and built a mixed‐effects model with patients nested within hospitals for inference on 75% of the data and reserved the remaining as an independent test dataset.ResultsThe mixed‐effects model indicated that patients with acute lymphoid leukemia (in relapse), neuroblastoma, rhabdomyosarcoma, or bone/cartilage cancer have increased odds of readmission. The number of cancer medications taken by the patient and the administration of chemotherapy were associated with increased odds of readmission for all cancer types. Wilms Tumor had a significant interaction with administration of chemotherapy, indicating that the risk due to chemotherapy is exacerbated in patients with Wilms Tumor. A second two‐way interaction between recent history of chemotherapy treatment and infections was associated with increased odds of readmission. The area under the receiver operator characteristic curve (and corresponding 95% confidence interval) of the mixed‐effects model was 0.714 (0.702, 0.725) on the independent test dataset.ConclusionReadmission risk in oncology is modified by the specific type of cancer, current and past administration of chemotherapy, and increased health care utilization. Oncology‐specific models can provide decision support where model built on other or mixed population has failed.
A fungal‐based anthraquinone emodin for polylactide and polyethylene terephthalate in supercritical carbon dioxide (SC‐CO2) dyeing
Authors: Räisänen Riikka , Montero Gerardo A. , Freeman Harold S. 
Published: February 2021

AbstractBio‐based materials and new dyeing technologies have gained growing interest, as companies actively want to enhance their products sustainability and remove environmental and hazardous pollutants. This article describes for the first time waterless dyeing studies using supercritical carbon dioxide (SC‐CO2) and a natural anthraquinone dye emodin for polylactide (PLA) and polyester (PET) fabric colouration. The colour of the dyed materials was measured as CIELab values, and the K/S (λmax,abs) value was reported. Colour fastness to rubbing and light was studied according to the relevant ISO standards. The results show that the small size and hydrophobic nature of the anthraquinone dye resulted in a uniform dyeing on PLA and PET fabrics with SC‐CO2 dyeing medium. The excellent rubbing fastness, and microscopic evaluation revealed that the dye had penetrated into the fiber structure completely. Also the light fastness properties were exceptionally high for natural dyes. Increased usage of biodegradable and recycled materials in textiles would benefit from biocolourants which are stable under end‐use conditions, produce bright colours and have acceptable tinctorial strength.
Adapted smart home services based on smart contracts and service level agreements
Authors: Staifi Noureddine , Belguidoum Meriem 
Published: February 2021

SummaryIn smart home systems (SHS), devices intercommunicate to create an intelligent environment that can monitor the inhabitant's health state and provide adapted services. However, existing health monitoring systems (HMS) do not provide adapted services to the patient autonomy degree. Furthermore, in these critical systems, the Quality of Service (QoS) aspect is very important; therefore, service level agreements (SLA) are the best solution to define and guarantee the expected QoS levels, nevertheless, existing SLA specification languages lack expressiveness in terms of user preference specification, dynamic service management and pricing. In this work, we propose an elderly health state‐aware SHS to offer adapted services according to the elderly health state, it is based on three main parts: (a) the functional autonomy measurement system (SMAF) for calculating the inhabitant's profile or autonomy degree, (b) domain‐specific language (DSL) for SLA that aims to increase patient‐awareness through the use of preferences, facilitate the SLA management using microservices, and manage the QoS dynamically using multilevel SLA (ML‐SLA) concept, and (c) smart contracts for the provision of adapted services and the verification of SLA terms.