17,417 results match your criteria derived position


Modeling the hydroxylation of estragole via human liver cytochrome P450.

J Mol Model 2021 Jun 11;27(7):199. Epub 2021 Jun 11.

Molecular Modeling Lab, Department of Physics, School of Physical and Decision Sciences, Babasaheb Bhimrao Ambedkar University, Lucknow, UP, 226025, India.

Natural compounds derived from plants are generally regarded safe and devoid of adverse effects. However, there are individual ingredients that possess toxic, genotoxic, and carcinogenic activities. These compounds when exposed at specific level become hazardous to health. Read More

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A Comparative Study of Autologous and Acellular Dermal Matrix Static Cheek Slings in Corrective Surgery for Facial Palsy.

Ann Plast Surg 2021 Jun 10. Epub 2021 Jun 10.

From the Department of Plastic Surgery, Guy's and St Thomas' NHS Foundation Trust, London, United Kingdom; and Department of Plastic Surgery and Burns Unit, Cruces University Hospital, Baracaldo, Spain Department of Otolaryngology, Massachusetts Eye and Ear Infirmary, Harvard Medical School, Boston, MA Department of Plastic Surgery, Guy's and St. Thomas' NHS Foundation Trust, London, United Kingdom.

Background: Facial palsy causes devastating disability due to loss of facial function as well as social and psychological impairment. Cheek slings are a secondary technique that provide static support to the midface. This study aimed to describe our technique and compare a traditional sling material (tensor fascia lata) with a porcine-derived acellular dermal matrix alternative (Strattice). Read More

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State-level trends in sudden unexpected infant death and immunization in the United States: an ecological study.

BMC Pediatr 2021 Jun 11;21(1):274. Epub 2021 Jun 11.

Institute for Social Medicine, Epidemiology and Health Economics, Charité - Universitätsmedizin Berlin, Charitéplatz 1, 10117, Berlin, Germany.

Background: Sudden unexpected infant death (SUID) continues to be a major contributor to infant mortality in the United States. The objective was to analyze time trends in SUID and their association with immunization coverage.

Methods: The number of deaths and live births per year and per state (1992-2015) was obtained from the Centers for Disease Control and Prevention (CDC). Read More

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Low cytotoxic quinoline-4-carboxylic acids derived from vanillin precursors as potential human dihydroorotate dehydrogenase inhibitors.

Bioorg Med Chem Lett 2021 Jun 8;46:128194. Epub 2021 Jun 8.

Faculty of Science, Department of Chemistry, University of Kragujevac, R. Domanovica 12, 34000 Kragujevac, Serbia. Electronic address:

Twenty novel 2-substituted quinoline-4-carboxylic acids bearing amide moiety were designed and synthesized by Doebner reaction. Human dihydroorotate dehydrogenase (hDHODH) was recognized as a biological target and all compounds were screened as potential hDHODH inhibitors in an enzyme inhibition assay. The prepared heterocycles were also evaluated for their cytotoxic effects on the healthy HaCaT cell line while lipophilic properties were considered on the basis of experimentally determined logD values at physiological pH. Read More

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Non-tunneled catheter tip depth position in urgent hemodialysis. A randomized controlled trial.

Minerva Urol Nephrol 2021 Jun 11. Epub 2021 Jun 11.

Nephrology Service, University Hospital, Autonomous University of Nuevo León, Monterrey, México.

Background: The average accepted depth for Non-Tunneled Catheters (NTC) insertion does not guarantee its correct position, so controversy exists. The aim is to assess the effect of two NTC placement depths on the number of NTC complication episodes.

Methods: We designed a triple blind, parallel-group, randomized controlled trial in a single Hemodialysis Center in Mexico (Registry: ACTRN12619000774123). Read More

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Machine-learning predicts genomic determinants of meiosis-driven structural variation in a eukaryotic pathogen.

Nat Commun 2021 06 10;12(1):3551. Epub 2021 Jun 10.

Laboratory of Evolutionary Genetics, Institute of Biology, University of Neuchâtel, Neuchâtel, Switzerland.

Species harbor extensive structural variation underpinning recent adaptive evolution. However, the causality between genomic features and the induction of new rearrangements is poorly established. Here, we analyze a global set of telomere-to-telomere genome assemblies of a fungal pathogen of wheat to establish a nucleotide-level map of structural variation. Read More

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Tracing the origin of hair follicle stem cells.

Nature 2021 Jun 9. Epub 2021 Jun 9.

Laboratory for Tissue Microenvironment, RIKEN Center for Biosystems Dynamics Research, Kobe, Japan.

Tissue stem cells are generated from a population of embryonic progenitors through organ-specific morphogenetic events. Although tissue stem cells are central to organ homeostasis and regeneration, it remains unclear how they are induced during development, mainly because of the lack of markers that exclusively label prospective stem cells. Here we combine marker-independent long-term 3D live imaging and single-cell transcriptomics to capture a dynamic lineage progression and transcriptome changes in the entire epithelium of the mouse hair follicle as it develops. Read More

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Extracellular Vesicles Derived from Cardiosphere-Derived Cells (CDC-EVs) as a Potential Anti-Shock Therapeutic.

J Trauma Acute Care Surg 2021 Apr 8. Epub 2021 Apr 8.

Coagulation and Blood Research (Blood), The United States Army Institute of Surgical Research, San Antonio, Texas/ 78234-4504, United States. Capricor Therapeutics Institute, Beverly Hills, California, 90211 Department of Biological Chemistry, Johns Hopkins, Baltimore, Maryland/ 21218, United States. Department of Biomedical Engineering, The University of Texas at San Antonio, San Antonio, Texas/ 78249, United States.

Background: Extracellular vesicles (EVs) isolated from cardiosphere-derived cells (CDC-EVs) are coming to light as a unique, cell free therapeutic. Due to their novelty, however, there still exist prominent gaps in knowledge regarding their therapeutic potential. Herein the therapeutic potential of CDC-EVs in a rat model of acute traumatic coagulopathy induced by polytrauma and hemorrhagic shock is outlined. Read More

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Fast Multiple Landmark Localisation Using a Patch-based Iterative Network.

Med Image Comput Comput Assist Interv 2018 26;2018:563-571. Epub 2018 Sep 26.

Biomedical Image Analysis Group Imperial College London UK.

We propose a new Patch-based Iterative Network (PIN) for fast and accurate landmark localisation in 3D medical volumes. PIN utilises a Convolutional Neural Network (CNN) to learn the spatial relationship between an image patch and anatomical landmark positions. During inference, patches are repeatedly passed to the CNN until the estimated landmark position converges to the true landmark location. Read More

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September 2018

Single amino acid insertion allows functional transduction of murine hepatocytes with human liver tropic AAV capsids.

Mol Ther Methods Clin Dev 2021 Jun 24;21:607-620. Epub 2021 Apr 24.

Translational Vectorology Research Unit, Children's Medical Research Institute, The University of Sydney, Westmead, NSW 2145, Australia.

Recent successes in clinical gene therapy applications have intensified the interest in using adeno-associated viruses (AAVs) as vectors for gene delivery into human liver. An inherent intriguing characteristic of AAVs is that vector variants vary substantially in their ability to transduce hepatocytes from different species. This has historically limited the value of preclinical studies using rodent models for predicting the efficiency of AAV vectors in liver-targeted gene therapy clinical studies. Read More

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The formyloxyl radical: electrophilicity, C-H bond activation and anti-Markovnikov selectivity in the oxidation of aliphatic alkenes.

Chem Sci 2020 Oct 2;11(42):11584-11591. Epub 2020 Oct 2.

Department of Organic Chemistry, Weizmann Institute of Science Rehovot 7610001 Israel

In the past the formyloxyl radical, HC(O)O˙, had only been rarely experimentally observed, and those studies were theoretical-spectroscopic in the context of electronic structure. The absence of a convenient method for the preparation of the formyloxyl radical has precluded investigations into its reactivity towards organic substrates. Very recently, we discovered that HC(O)O˙ is formed in the anodic electrochemical oxidation of formic acid/lithium formate. Read More

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October 2020

Catalyst control of selectivity in the C-O bond alumination of biomass derived furans.

Chem Sci 2020 Jul 8;11(30):7850-7857. Epub 2020 Jul 8.

Department of Chemistry, Molecular Sciences Research Hub, Imperial College London 80 Wood Lane, Shepherds Bush London W12 0BZ UK

Non-catalysed and catalysed reactions of aluminium reagents with furans, dihydrofurans and dihydropyrans were investigated and lead to ring-expanded products due to the insertion of the aluminium reagent into a C-O bond of the heterocycle. Specifically, the reaction of [{(ArNCMe)CH}Al] (Ar = 2,6-di-iso-propylphenyl, ) with furans proceeded between 25 and 80 °C leading to dearomatised products due to the net transformation of a sp C-O bond into a sp C-Al bond. The kinetics of the reaction of with furan were found to be 1st order with respect to with activation parameters Δ = +19. Read More

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The large subunit of the regulatory [NiFe]-hydrogenase from - a minimal hydrogenase?

Chem Sci 2020 Apr 27;11(21):5453-5465. Epub 2020 Apr 27.

Institut für Chemie, Technische Universität Berlin Straße des 17. Juni 135 10623 Berlin Germany

Chemically synthesized compounds that are capable of facilitating the reversible splitting of dihydrogen into protons and electrons are rare in chemists' portfolio. The corresponding biocatalysts - hydrogenases - are, however, abundant in the microbial world. [NiFe]-hydrogenases represent a major subclass and display a bipartite architecture, composed of a large subunit, hosting the catalytic NiFe(CO)(CN) cofactor, and a small subunit whose iron-sulfur clusters are responsible for electron transfer. Read More

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Position Validation of the Dwarfing Gene in Oat ( L.) and Its Correlated Effects on Agronomic Traits.

Front Plant Sci 2021 20;12:668847. Epub 2021 May 20.

Triticeae Research Institute, Sichuan Agricultural University, Chengdu, China.

An F recombinant inbred line (RIL) population derived from the cross between WAOAT2132 () and Caracas along with the two parents were used to evaluate the genetic effects of dwarfing gene on plant height and other agronomic traits in oat ( L.) across three environments, and develop closely linked markers for marker-assisted selection (MAS) for . The two parents differed in all investigated agronomic traits except for the number of whorls. Read More

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The molecular profiling of solid tumors by liquid biopsy: a position paper of the AIOM-SIAPEC-IAP-SIBioC-SIC-SIF Italian Scientific Societies.

ESMO Open 2021 Jun 3;6(3):100164. Epub 2021 Jun 3.

Department of Oncology, Humanitas Gavazzeni, Bergamo, Italy.

The term liquid biopsy (LB) refers to the use of various biological fluids as a surrogate for neoplastic tissue to achieve information for diagnostic, prognostic and predictive purposes. In the current clinical practice, LB is used for the identification of driver mutations in circulating tumor DNA derived from both tumor tissue and circulating neoplastic cells. As suggested by a growing body of evidence, however, there are several clinical settings where biological samples other than tissue could be used in the routine practice to identify potentially predictive biomarkers of either response or resistance to targeted treatments. Read More

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Production of the infant formula ingredient 1,3-olein-2-palmitin in Arabidopsis thaliana seeds.

Metab Eng 2021 Jun 4;67:67-74. Epub 2021 Jun 4.

Plant Science Department, Rothamsted Research, Harpenden, Hertfordshire, AL5 2JQ, UK. Electronic address:

In human milk fat, palmitic acid (16:0) is esterified to the middle (sn-2 or β) position on the glycerol backbone and oleic acid (18:1) predominantly to the outer positions, giving the triacylglycerol (TG) a distinctive stereoisomeric structure that is believed to assist nutrient absorption in the infant gut. However, the fat used in most infant formulas is derived from plants, which preferentially esterify 16:0 to the outer positions. We have previously showed that the metabolism of the model oilseed Arabidopsis thaliana can be engineered to incorporate 16:0 into the middle position of TG. Read More

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Progression along data-driven disease timelines is predictive of Alzheimer's disease in a population-based cohort.

Neuroimage 2021 Jun 4;238:118233. Epub 2021 Jun 4.

Department of Radiology & Nuclear Medicine, Erasmus MC, University Medical Center Rotterdam, The Netherlands; Department of Epidemiology, Erasmus MC, University Medical Center Rotterdam, The Netherlands. Electronic address:

Data-driven disease progression models have provided important insight into the timeline of brain changes in AD phenotypes. However, their utility in predicting the progression of pre-symptomatic AD in a population-based setting has not yet been investigated. In this study, we investigated if the disease timelines constructed in a case-controlled setting, with subjects stratified according to APOE status, are generalizable to a population-based cohort, and if progression along these disease timelines is predictive of AD. Read More

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Identification of brevinin-1EMa-derived stapled peptides as broad-spectrum virus entry blockers.

Virology 2021 May 24;561:6-16. Epub 2021 May 24.

College of Pharmacy, Dongguk University, Goyang, Republic of Korea. Electronic address:

Based on the previously reported 13-residue antibacterial peptide analog, brevinin-1EMa (FLGWLFKVASKVL, peptide B), we attempted to design a novel class of antiviral peptides. For this goal, we synthesized three peptides with different stapling positions (B-2S, B-8S, and B-5S). The most active antiviral peptide with the specific stapling position (B-5S) was further modified in combination with either cysteine (B-5S3C, B-5S7C, and B-5S10C) or hydrophilic amino acid substitution (Bsub and Bsub-5S). Read More

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Identification of a recessive gene YrZ15-1370 conferring adult plant resistance to stripe rust in wheat-Triticum boeoticum introgression line.

Theor Appl Genet 2021 Jun 5. Epub 2021 Jun 5.

State Key Laboratory of Crop Gene Exploration and Utilization in Southwest China, Sichuan Agricultural University, Wenjiang, 611130, Chengdu, China.

Key Message: A novel recessive gene YrZ15-1370 derived from Triticum boeoticum confers adult-plant resistance to wheat stripe rust. Stripe rust, caused by Puccinia striiformis f. sp. Read More

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A multicenter validation of the condylar-C2 sagittal vertical alignment in Chiari malformation type I: a study using the Park-Reeves Syringomyelia Research Consortium.

J Neurosurg Pediatr 2021 Jun 4:1-7. Epub 2021 Jun 4.

1Division of Pediatric Neurosurgery, Primary Children's Hospital, University of Utah, Salt Lake City, Utah.

Objective: The condylar-C2 sagittal vertical alignment (C-C2SVA) describes the relationship between the occipitoatlantal joint and C2 in patients with Chiari malformation type I (CM-I). It has been suggested that a C-C2SVA ≥ 5 mm is predictive of the need for occipitocervical fusion (OCF) or ventral brainstem decompression (VBD). The authors' objective was to validate the predictive utility of the C-C2SVA by using a large, multicenter cohort of patients. Read More

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Enantioselective α-Etherification of Branched Aldehydes via an Oxidative Umpolung Strategy.

Angew Chem Int Ed Engl 2021 Jun 4. Epub 2021 Jun 4.

Aarhus University, Chemistry, Langelandsgade 140, 800, Aarhus, DENMARK.

Saturated carbonyl compounds are, via their enolate analogs, inherently nucleophilic at the α-position. In the presence of a benzoquinone oxidant, the polarity of the α-position of racemic α-branched aldehydes is inverted, allowing for an enantioselective etherification using readily available oxygen-based nucleophiles and an amino acid-derived primary amine catalyst. A survey of benzoquinone oxidants identified p -fluoranil and DDQ as suitable reaction partners. Read More

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The interplay of seizures-induced axonal sprouting and transcription-dependent Bdnf repositioning in the model of temporal lobe epilepsy.

PLoS One 2021 4;16(6):e0239111. Epub 2021 Jun 4.

Laboratory of Molecular and Systemic Neuromorphology, Nencki Institute of Experimental Biology, Polish Academy of Sciences, Warsaw, Poland.

The Brain-Derived Neurotrophic Factor is one of the most important trophic proteins in the brain. The role of this growth factor in neuronal plasticity, in health and disease, has been extensively studied. However, mechanisms of epigenetic regulation of Bdnf gene expression in epilepsy are still elusive. Read More

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Cryo-EM Map-Based Model Validation Using the False Discovery Rate Approach.

Front Mol Biosci 2021 18;8:652530. Epub 2021 May 18.

Scientific Computing Department, Science and Technology Facilities Council, Research Complex at Harwell, Didcot, United Kingdom.

Significant technological developments and increasing scientific interest in cryogenic electron microscopy (cryo-EM) has resulted in a rapid increase in the amount of data generated by these experiments and the derived atomic models. Robust measures for the validation of 3D reconstructions and atomic models are essential for appropriate interpretation of the data. The resolution of data and availability of software tools that work across a range of resolutions often limit the quality of derived models. Read More

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Oxygen Reduction Reaction on N-Doped Graphene: Effect of Positions and Scaling Relations of Adsorption Energies.

J Phys Chem C Nanomater Interfaces 2021 Apr 20;125(16):8551-8561. Epub 2021 Apr 20.

Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O.Box 91, Budapest H-1521, Hungary.

The goal of this study is to provide insight into the mechanism of the oxygen reduction reaction (ORR) on N-doped graphene surfaces. Using density functional theory and a computational hydrogen electrode model, we studied the energetics of the ORR intermediates, the effect of the position of the reaction site, and the effect of the position of the N modification relative to the active site on model graphene surfaces containing one or two N atoms. We found that scaling relations can be derived for N-doped graphenes as well, but the multiplicity of the surface should be taken into account. Read More

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Physiological diversity influences detection of stimulus envelope and fine structure in neurons of the medial superior olive.

J Neurosci 2021 Jun 1. Epub 2021 Jun 1.

Department of Neuroscience, University of Texas at Austin, Austin, TX 78712

The neurons of the medial superior olive (MSO) of mammals extract azimuthal information from the delays between sounds reaching the two ears (interaural time differences, or ITDs). Traditionally, all models of sound localization have assumed that MSO neurons represent a single population of cells with specialized and homogeneous intrinsic and synaptic properties that enable detection of synaptic coincidence on a time scale of tens to hundreds of microseconds. Here, using patch-clamp recordings from large populations of anatomically labeled neurons in brainstem slices from male and female Mongolian gerbils (s), we show that MSO neurons are far more physiologically diverse than previously appreciated, with properties that depend regionally on cell position along the topographic map of frequency. Read More

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Sociodemographic differences in motives for food selection: results from the LoCard cross-sectional survey.

Int J Behav Nutr Phys Act 2021 06 2;18(1):71. Epub 2021 Jun 2.

Department of Food and Nutrition, University of Helsinki, P.O. Box 66, Helsinki, 00014, Finland.

Background: Although sociodemographic differences in dietary intake have been widely studied, the up-to-date evidence on the corresponding variations in motives for food selection is limited. We investigated how sociodemographic characteristics and special diets in households are associated with the relative importance of various food motives.

Methods: Participants were members of the S Group loyalty card program across Finland who consented to release their grocery purchase data to be used for research purposes and responded to a web-based questionnaire in 2018 (LoCard study). Read More

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Molecular conversion of MIG6 hotspot-3 peptide from the nonbinder to a moderate binder of HER2 by rational design of an orthogonal interaction system at the HER2-peptide interface.

Biophys Chem 2021 May 23;276:106625. Epub 2021 May 23.

Department of Obstetrics and Gynecology, Yidu Central Hospital Affiliated to Weifang Medical University, Weifang 262500, China. Electronic address:

Human epidermal growth factor receptor 2 (HER2) has been established as an approved druggable target for the treatment of patients with diverse gynecological tumors such as ovarian, cervical and breast cancers. The mitogen-inducible gene 6 (MIG6) protein is a negative regulator of HER2 signaling by using its Seg1 segment to disrupt the allosteric dimerization of HER2 kinase domain. Previous studies found that the Seg1 adopts three separated hotspots to interact with the HER2 dimerization interface, in which the third hotspot (H3) is located at the core region of the interface but its derived H3 peptide (PKYVS) and Tyr358Phe mutant (PKFVS) cannot bind effectively to the interface in an independent manner. Read More

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Sulfate Speciation Analysis Using Soft X-ray Emission Spectroscopy.

Anal Chem 2021 Jun 2. Epub 2021 Jun 2.

Institute for Photon Science and Synchrotron Radiation (IPS), Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen 76344, Germany.

The chemical and electronic structures of 15 different sulfates are studied using S L soft X-ray emission spectroscopy (XES). Sulfur L XES spectra of sulfates are distinctively different from those of other sulfur compounds, which makes XES a powerful technique for sulfate detection. Furthermore, subtle but distinct differences between the spectra of sulfates with different cations are observed, which allow a further differentiation of the specific compound. Read More

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Chemical Synthesis and Structure-Activity Relationship Study Yield Desotamide a Analogues with Improved Antibacterial Activity.

Mar Drugs 2021 May 24;19(6). Epub 2021 May 24.

CAS Key Laboratory of Tropical Marine Bio-Resources and Ecology, Guangdong Key Laboratory of Marine Materia Medica, RNAM Center for Marine Microbiology, South China Sea Institute of Oceanology, Chinese Academy of Sciences, 164 West Xingang Road, Guangzhou 510301, China.

Desotamides A, a cyclohexapeptide produced by the deep-sea-derived SCSIO ZJ46, displays notable antibacterial activities against strains of , , and methicillin-resistant (MRSE). In this study, to further explore its antibacterial potential and reveal the antibacterial structure-activity relationship of desotamides, 13 cyclopeptides including 10 new synthetic desotamide A analogues and wollamides B/B1/B2 were synthesized and evaluated for their antibacterial activities against a panel of Gram-positive and -negative pathogens. The bioactivity data reveal that residues at position II and VI greatly impact antibacterial activity. Read More

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Anti-Melanogenic Properties of Velutin and Its Analogs.

Molecules 2021 May 19;26(10). Epub 2021 May 19.

Department of Bio-Health Technology, Division of Biomedical Convergence, College of Biomedical Science, Kangwon National University, Chuncheon 24341, Korea.

Velutin, one of the flavones contained in natural plants, has various beneficial activities, such as skin whitening, as well as anti-inflammatory, anti-allergic, antioxidant, and antimicrobial activities. However, the relationship between the structure of velutin and its anti-melanogenesis activity is not yet investigated. In this study, we obtained 12 velutin derivatives substituted at C5, C7, C3', and C4' of the flavone backbone with hydrogen, hydroxyl, and methoxy functionalities by chemical synthesis, to perform SAR analysis of velutin structural analogues. Read More

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