269,750 results match your criteria structural analysis

Synthesis, Antimicrobial Evaluation of Substituted Indole and Nitrobenzenamine based Cr(III), Mn(III) and Fe(III) Metal Complexes.

Drug Res (Stuttg) 2021 Jul 22. Epub 2021 Jul 22.

Department of Chemistry, FoE, Teerthanker Mahaveer University, Moradabad Uttar Pradesh, India.

Schiff base ligand (E)-5-methyl-3-(1-(4-nitrophenylimino)ethyl)-1H-indol-2-amine was synthesized by the condensation of 1-(2-amino-5-methyl-1H-indol-3-yl)ethanone and 4-nitrobenzenamine in methanol at 70 C. The prepared Schiff base ligand doped with Cr(III), Mn(III) and Fe(III) ion, respectively and it is denoted as [M(CHNO)X]X. The complexes have been characterized with the help of elemental analysis, conductance measurements, magnetic measurements and their structural configuration have been determined by various spectroscopic (electronic, IR, H NMR, C NMR, GCMS) techniques. Read More

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Expanding DSD Phenotypes Associated with Variants in the DEAH-Box RNA Helicase DHX37.

Sex Dev 2021 Jul 22:1-9. Epub 2021 Jul 22.

Human Developmental Genetics Unit, CNRS UMR 3738, Institut Pasteur, Paris, France.

Missense variants in the RNA-helicase DHX37 are associated with either 46,XY gonadal dysgenesis or 46,XY testicular regression syndrome (TRS). DHX37 is required for ribosome biogenesis, and this subgroup of XY DSD is a new human ribosomopathy. In a cohort of 140 individuals with 46,XY DSD, we identified 7 children with either 46,XY complete gonadal dysgenesis or 46,XY TRS carrying rare or novel DHX37 variants. Read More

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Deep neural network-based approach to improving radiomics analysis reproducibility in liver cancer: effect on image resampling.

Phys Med Biol 2021 Jul 22. Epub 2021 Jul 22.

Nuclear & Radiological Engineering and Medical Physics Programs, Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, USA, Atlanta, Georgia, UNITED STATES.

Objectives: To test the effect of traditional up-sampling slice thickness (ST) methods on the reproducibility of CT radiomics features of liver tumors and investigate the improvement using a deep neural network (DNN) scheme.

Methods: CT images with ≤ 1 mm ST in the public dataset were converted to low resolution (3 mm, 5 mm) CT images. A DNN model was trained for the conversion from 3 mm-ST and 5 mm-ST to 1 mm-ST and compared with conventional interpolation-based methods (cubic, linear, nearest) using structural similarity (SSIM) and peak-signal-to-noise-ratio (PSNR). Read More

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Effect of thermal gradient on structural relaxation and characterization of thermal stresses in dental porcelains - A finite element study.

J Mech Behav Biomed Mater 2021 Jul 14;122:104693. Epub 2021 Jul 14.

Schulich School of Medicine & Dentistry, Western University, London, Ontario, Canada. Electronic address:

Zirconia-based materials veneered with glassy porcelain have become the material of choice for both dentists and their patients. This restoration material is now extensively used in clinical practice for the following reasons: material closely resembles tooth appearance, biofunctionality, biocompatibility and affordability. However, premature clinical failures due to the combination of subsurface flaws and tensile stresses within porcelains raise a concern about their reliability and integrity. Read More

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A More Universal Approach to Comprehensive Analysis of ThalaSsemia Alleles (CATSA).

J Mol Diagn 2021 Jul 19. Epub 2021 Jul 19.

Hunan Jiahui Genetics Hospital, Changsha, Hunan 410078, China; Center for Medical Genetics and Hunan Key Laboratory of Medical Genetics, School of Life Sciences, Central South University, Changsha, Hunan 410078, China. Electronic address:

The aim of the study was to assess the clinical utility of a third generation sequencing (TGS) approach termed Comprehensive Analysis of ThalaSsemia Alleles (CATSA) for identifying both alpha and beta thalassemia genetic carrier status. Prospective blood samples (n = 1759) with abnormal hemoglobin parameters were screened for pathogenic thalassemia variants by CATSA on the PacBio TGS platform. In 1159 individuals, a total of 1317 pathogenic thalassemia variants were identified and confirmed by independent PCR based tests. Read More

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Does NAFLD Mediate the Relationship Between Obesity and Type 2 Diabetes Risk? Evidence from the Multi-Ethnic Study of Atherosclerosis (MESA).

Ann Epidemiol 2021 Jul 19. Epub 2021 Jul 19.

University of California, Berkeley, School of Public Health, Division of Epidemiology & Biostatistics, Berkeley, CA, USA.

Purpose: To estimate the effect of obesity on type 2 diabetes (T2DM) risk and evaluate to what extent non-alcoholic fatty liver disease (NAFLD) mediates this association.

Methods: Data came from 4,522 adults ages 45-84 participating in the Multi-Ethnic Study of Atherosclerosis cohort. Baseline obesity was defined using established BMI categories. Read More

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Is flow control in a space-constrained drainage network effective? A performance assessment for combined sewer overflow reduction.

Environ Res 2021 Jul 19:111688. Epub 2021 Jul 19.

Eawag, Swiss Federal Institute of Aquatic Science and Technology, 8600, Dübendorf, Switzerland; Environmental Systems Dynamics Laboratory, University of California Berkeley, CA, 94720, USA.

Recurring combined sewer overflows (CSOs) can have a significant impact on the ecological condition of receiving water bodies. There are several structural measures, like adding retention basins and switching to low impact development solutions, that have been proposed to reduce the number of sewage overflows. Besides, several flow control strategies have been discussed in scientific literature that take advantage of the space within urban drainage networks, which is assumed to be adequate, for temporary storage. Read More

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Phase Analysis of Australian Uranium Ore Concentrates Determined by Variable Temperature Synchrotron Powder X-ray Diffraction.

Inorg Chem 2021 Jul 22. Epub 2021 Jul 22.

College of Science and Engineering, Flinders University, Adelaide, South Australia 5001, Australia.

The chemical speciation of uranium oxides is sensitive to the provenance of the samples and their storage conditions. Here, we use diffraction methods to characterize the phases found in three aged (>10 years) uranium ore concentrates of different origins as well as in situ analysis of the thermally induced structural transitions of these materials. The structures of the crystalline phases found in the three samples have been refined, using high-resolution synchrotron X-ray diffraction data. Read More

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Mass spectrometry-based methods for the advanced characterization and structural analysis of lignin: A review.

Mass Spectrom Rev 2021 Jul 22. Epub 2021 Jul 22.

Department of Chemistry, Humboldt University Berlin, Berlin, Germany.

Lignin is currently one of the most promising biologically derived resources, due to its abundance and application in biofuels, materials and conversion to value aromatic chemicals. The need to better characterize and understand this complex biopolymer has led to the development of many different analytical approaches, several of which involve mass spectrometry and subsequent data analysis. This review surveys the most important analytical methods for lignin involving mass spectrometry, first looking at methods involving gas chromatography, liquid chromatography and then continuing with more contemporary methods such as matrix assisted laser desorption ionization and time-of-flight-secondary ion mass spectrometry. Read More

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Exploring the factors in information seeking behavior: a perspective from multinational COPD online forums.

Health Promot Int 2021 Jul 19. Epub 2021 Jul 19.

Department of Information Technology and Decision Sciences, G. Brint Ryan College of Business, University of North Texas, Denton, TX, USA.

This research establishes a theoretical framework for evaluating antecedents of the information seeking behaviors of online forum participants with chronic obstructive pulmonary disease (COPD). We evaluated the proposed framework using partial least squares structural equation modeling (PLS-SEM) after gathering data using a cross-sectional survey. We subsequently assessed the framework using importance-performance map analysis (IPMA). Read More

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Individualized Glaucoma Change Detection Using Deep Learning Auto Encoder-Based Regions of Interest.

Transl Vis Sci Technol 2021 Jul;10(8):19

Hamilton Glaucoma Center, Shiley Eye Institute, The Viterbi Family Department of Ophthalmology, UC San Diego, La Jolla, CA, USA.

Purpose: To compare change over time in eye-specific optical coherence tomography (OCT) retinal nerve fiber layer (RNFL)-based region-of-interest (ROI) maps developed using unsupervised deep-learning auto-encoders (DL-AE) to circumpapillary RNFL (cpRNFL) thickness for the detection of glaucomatous progression.

Methods: Forty-four progressing glaucoma eyes (by stereophotograph assessment), 189 nonprogressing glaucoma eyes (by stereophotograph assessment), and 109 healthy eyes were followed for ≥3 years with ≥4 visits using OCT. The San Diego Automated Layer Segmentation Algorithm was used to automatically segment the RNFL layer from raw three-dimensional OCT images. Read More

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Cryopreservation moderates the thrombogenicity of arterial allografts during storage.

PLoS One 2021 22;16(7):e0255114. Epub 2021 Jul 22.

Department of Vascular and Endovascular Surgery, Heart and Vascular Center, Semmelweis University, Budapest, Hungary.

Introduction: Management of vascular infections represents a major challenge in vascular surgery. The use of cryopreserved vascular allografts could be a feasible therapeutic option, but the optimal conditions for their production and use are not precisely defined.

Aims: To evaluate the effects of cryopreservation and the duration of storage on the thrombogenicity of femoral artery allografts. Read More

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Structural Insights into Notum Covalent Inhibition.

J Med Chem 2021 Jul 22. Epub 2021 Jul 22.

Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Oxford OX3 7BN, U.K.

The carboxylesterase Notum hydrolyzes a palmitoleate moiety from Wingless/Integrated(Wnt) ligands and deactivates Wnt signaling. Notum inhibitors can restore Wnt signaling which may be of therapeutic benefit for pathologies such as osteoporosis and Alzheimer's disease. We report the identification of a novel class of covalent Notum inhibitors, 4-(indolin-1-yl)-4-oxobutanoate esters. Read More

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Inverse Hydrogen-Bonding Change Between the Protonated Retinal Schiff Base and Water Molecules upon Photoisomerization in Heliorhodopsin 48C12.

J Phys Chem B 2021 Jul 22. Epub 2021 Jul 22.

Department of Life Science and Applied Chemistry, Nagoya Institute of Technology, Showa-ku, Nagoya 466-8555, Japan.

Heliorhodopsin (HeR) is a new class of the rhodopsin family discovered in 2018 through functional metagenomic analysis (named 48C12). Similar to typical microbial rhodopsins, HeR possesses seven transmembrane (TM) α-helices and an all--retinal covalently bonded to the lysine residue on TM7 via a protonated Schiff base. Remarkably, the HeR membrane topology is inverted compared with that of typical microbial rhodopsins. Read More

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How Do Molecular Motions Affect Structures and Properties at Molecule and Aggregate Levels?

J Am Chem Soc 2021 Jul 22. Epub 2021 Jul 22.

Department of Chemistry, Hong Kong Branch of Chinese National Engineering Research Center for Tissue Restoration and Reconstruction and Institute for Advanced Study, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong 999077, China.

Molecular motions are essential natures of matter and play important roles in their structures and properties. However, owing to the diversity and complexity of structures and behaviors, the study of motion-structure-property relationships remains a challenge, especially at all levels of structural hierarchy from molecules to macro-objects. Herein, luminogens showing aggregation-induced emission (AIE), namely, 9-(pyrimidin-2-yl)-carbazole (PyCz) and 9-(5-R-pyrimidin-2-yl)-carbazole [R = Cl (ClPyCz), Br (BrPyCz), and CN (CyPyCz)], were designed and synthesized, to decipher the dependence of materials' structures and properties on molecular motions at the molecule and aggregate levels. Read More

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Model-guided development of an evolutionarily stable yeast chassis.

Mol Syst Biol 2021 Jul;17(7):e10253

Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany.

First-principle metabolic modelling holds potential for designing microbial chassis that are resilient against phenotype reversal due to adaptive mutations. Yet, the theory of model-based chassis design has rarely been put to rigorous experimental test. Here, we report the development of Saccharomyces cerevisiae chassis strains for dicarboxylic acid production using genome-scale metabolic modelling. Read More

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The intuitive eating scale-2: re-evaluating its factor structure using a bifactor exploratory structural equation modelling framework.

Eat Weight Disord 2021 Jul 22. Epub 2021 Jul 22.

Department of Psychology, University of Bath, Bath, UK.

Purpose: Previous studies examining the appropriateness of the 4-factor model of intuitive eating scale-2 (IES-2) scores have returned equivocal results, which may reflect methodological limitations in the way IES-2 scores are modelled. Here, we applied a bifactor-exploratory structural equation modelling (B-ESEM) framework to better understand IES-2 multidimensionality.

Methods: A total of 603 participants from the United States completed the IES-2, alongside measures of body appreciation, body acceptance from others, and self-esteem. Read More

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Association of serum apolipoprotein B with retinal neurovascular structural alterations in patients with type 2 diabetes: an optical coherence tomography angiography study.

Acta Diabetol 2021 Jul 22. Epub 2021 Jul 22.

Department of Ophthalmology, Shaanxi Provincial People's Hospital, Xi'an, 710068, China.

Purpose: To investigate the association of serum apoB concentrations with retinal neurovascular structural alterations in type 2 diabetes patients without clinically visible retinopathy.

Methods: Eyes with no clinically visible diabetic retinopathy (DR) from diabetic patients with or without dyslipidemia were included. Changes in retinal neural structures, including the ganglion cell layer (GCL) and peripapillary retinal nerve fiber layer (RNFL) thicknesses, and microvascular metrics, including macular vessel density (VD) and perfusion density (PD) of the superficial capillary plexus, were measured with optical coherence tomography angiography (OCTA). Read More

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Characterizing the Chemical Space of γ-Secretase Inhibitors and Modulators.

ACS Chem Neurosci 2021 Jul 22. Epub 2021 Jul 22.

Departamento de Fisicoquímica, Facultad de Química, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.

γ-Secretase (GS) is one of the most attractive molecular targets for the treatment of Alzheimer's disease (AD). Its key role in the final step of amyloid-β peptides generation and its relationship in the cascade of events for disease development have caught the attention of many pharmaceutical groups. Over the past years, different inhibitors and modulators have been evaluated as promising therapeutics against AD. Read More

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Rapid Highly-Efficient Digestion and Peptide Mapping of Adeno-Associated Viruses.

Anal Chem 2021 Jul 22. Epub 2021 Jul 22.

Barnett Institute of Chemical and Biological Analysis, Department of Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115, United States.

Adeno-associated viruses (AAVs) comprise an area of rapidly growing interest due to their ability to act as a gene delivery vehicle in novel gene therapy strategies and vaccine development. Peptide mapping is a common technique in the biopharmaceutical industry to confirm the correct sequence, product purity, post-translational modifications (PTMs), and stability. However, conventional peptide mapping is time-consuming and has proven difficult to reproduce with viral capsids because of their high structural stability and the suboptimal localization of trypsin cleavage sites in the AAV protein sequences. Read More

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Correlated Motions in Structural Biology.

Biochemistry 2021 Jul 22. Epub 2021 Jul 22.

Department of Chemistry and Chemical Biology, Cornell University, 259 East Avenue, Ithaca, New York 14853, United States.

Correlated motions in proteins arising from the collective movements of residues have long been proposed to be fundamentally important to key properties of proteins, from allostery and catalysis to evolvability. Recent breakthroughs in structural biology have made it possible to capture proteins undergoing complex conformational changes, yet intrinsic correlated motions within a conformation remain one of the least understood facets of protein structure. For many decades, the analysis of total X-ray scattering held the promise of animating crystal structures with correlated motions. Read More

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Magnetic Resonance Imaging-Based Structural Covariance Changes of the Striatum in Lifelong Premature Ejaculation Patients.

J Magn Reson Imaging 2021 Jul 22. Epub 2021 Jul 22.

Life Sciences Research Center, School of Life Science and Technology, Xidian University, Xi'an, China.

Background: The striatum has been reported to be implicated in various neurological diseases, including lifelong premature ejaculation (LPE). Altered striatum-related functional connectivity was investigated in LPE patients in previous studies; however, structural abnormalities in the striatum have been less studied in LPE.

Purpose: To identify the gray matter volume (GMV) and structural covariance patterns of the striatum between LPE patients and healthy controls (HCs). Read More

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Skipping the skippable: An empirical study with out-of-sample predictive relevance.

J Community Psychol 2021 Jul 22. Epub 2021 Jul 22.

College of Business Management, Institute of Business Management, Karachi, Pakistan.

Purpose: This explanatory research aims to describe the factors that impact YouTube ad intrusiveness, value, and avoidance in light of psychological reactance theory.

Research Design: The research has a causal-predictive design. It describes the relationship between the construct with an underpinning theory. Read More

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The complete chloroplast genome sequence of (Harry Sm.) Ma (Gentianaceae) and phylogenetic analysis.

Mitochondrial DNA B Resour 2021 9;6(8):2297-2298. Epub 2021 Jul 9.

College of Food and Biology Engineering, Chongqing Three Gorges University, Chongqing, China.

The high-throughput sequencing technology was used to sequence and assemble the chloroplast genome of , and we analyzed its structural characteristics and phylogenetic relationships. The complete chloroplast genome of was 151,271 bp in length, consisting of a large single copy (LSC) region of 82,572 bp and a small single copy (SSC) region of 17,907 bp, which were separated by a pair of inverted repeat regions (IRs) of 25,396 bp. The annotation contained a total of 114 unique genes, including 78 protein-coding genes, 30 tRNA genes, four rRNA genes, and two pseudogenes. Read More

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Identification of rare nonsense variant causing orofacial cleft in a Chinese family and an up-to-date genotype-phenotype analysis.

Genes Dis 2021 Sep 8;8(5):689-697. Epub 2020 Jan 8.

Department of Orthodontics, Peking University School and Hospital of Stomatology, Beijing, 100081, PR China.

The Patched 1 () gene encodes a membrane receptor involved in the Hedgehog (Hh) signaling pathway, an abnormal state of which may result in congenital defects or human tumors. In this study, we conducted whole-exome sequencing on a three-generation Chinese family characterized with variable penetrance of orofacial clefts. A rare heterozygous variant in the gene (c. Read More

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September 2021

Evaluation of Autologous Protein Solution Injection for Treatment of Superficial Digital Flexor Tendonitis in an Equine Model.

Front Vet Sci 2021 5;8:697551. Epub 2021 Jul 5.

Department of Clinical Studies, New Bolton Center, School of Veterinary Medicine, University of Pennsylvania, Kennett Square, PA, United States.

Autologous protein solution (APS) has been used anecdotally for intralesional treatment of tendon and ligament injuries, however, its use in these injuries has never been studied . Our objective was to evaluate the effect of APS on tendon healing in an equine superficial digital flexor (SDF) tendonitis model. We hypothesized intralesional injection of APS would result in superior structural and biomechanical healing. Read More

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Conceptualizing Medical Resident's Journey through Wonderland of Clinical Practice: From transitional shock to role adaptation to independent practice.

Pak J Med Sci 2021 Jul-Aug;37(4):1048-1053

Dr. Rahila Yasmeen, BDS, DCPS- HPE, MHPE, PhD-HPE (Scholar). Professor/ Director, Department of Medical Education, DEAN RARE/ ORIC, Riphah International University, Islamabad, Pakistan.

Objectives: To explore experiences of medical residents about stages and nature of transitional journey from induction into residency program to achievement of consultant title.

Methods: Qualitative phenomenological study was conducted at Sir Gangaram hospital and Fatima Memorial Hospital, Lahore for six months from Feb 2019-July 2019 after IRB/ERC approval from Islamic International Medical College (Ref# Riphah/IIMC/ERC/19/0320). Using purposive criterion sampling, 16 semi-structured interviews in four departments, four strata of junior residents, senior residents, newly-qualified consultants, and supervising consultants with four participants each were conducted till theoretical saturation of data was achieved. Read More

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November 2020

As Time Goes by: Understanding Child and Family Factors Shaping Behavioral Outcomes After Traumatic Brain Injury.

Front Neurol 2021 5;12:687740. Epub 2021 Jul 5.

Department of Pediatrics, Division of Critical Care, School of Medicine, University of Utah, Salt Lake City, UT, United States.

To model pre-injury child and family factors associated with the trajectory of internalizing and externalizing behavior problems across the first 3 years in children with pediatric traumatic brain injury (TBI) relative to children with orthopedic injuries (OI). Parent-reported emotional symptoms and conduct problems were expected to have unique and shared predictors. We hypothesized that TBI, female sex, greater pre-injury executive dysfunction, adjustment problems, lower income, and family dysfunction would be associated with less favorable outcomes. Read More

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Validation of a Short Scale for Student Evaluation of Teaching Ratings in a Polytechnic Higher Education Institution.

Front Psychol 2021 5;12:635543. Epub 2021 Jul 5.

Department of Developmental Psychology and Didactics, University of Alicante, Alicante, Spain.

The general purpose of this work is 2-fold, to validate scales and to present the methodological procedure to reduce these scales to validate a rating scale for the student evaluation of teaching in the context of a Polytechnic Higher Education Institution. We explored the relationship between the long and short versions of the scale; examine their invariance in relation to relevant variables such as gender. Data were obtained from a sample of 6,110 students enrolled in a polytechnic higher education institution, most of whom were male. Read More

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Evolving outcomes of surgery for retinal detachment in retinopathy of prematurity: the need for a national service in the United Kingdom : An audit of surgery for acute tractional retinal detachment complicating ROP in the UK.

Eye (Lond) 2021 Jul 21. Epub 2021 Jul 21.

Oxford Eye Hospital, John Radcliffe Hospital, Oxford, UK.

Objectives: To audit the structural and functional outcomes of surgery for acute tractional retinal detachment due to retinopathy or prematurity between 2004 and 2014 in Oxford UK.

Methods: Consecutive operations were identified from a surgical log. Clinical data including demography, perioperative data, and retinal outcomes were extracted into a spreadsheet and compared against two international data sets referenced in the method section. Read More

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