672,156 results match your criteria structures

The Concentration of Metronidazole in the Distal Interphalangeal Joint following Intravenous Regional Limb Perfusion via the Cephalic Vein in Standing Horses.

Vet Comp Orthop Traumatol 2021 May 12. Epub 2021 May 12.

Department of Large Animal Medicine and Surgery, Koret School of Veterinary Medicine, The Robert H. Smith Faculty of Agriculture, Food and Environment, the Hebrew University of Jerusalem, Rehovot, Israel.

Objective:  The aim of this study was to determine the concentration of metronidazole in the distal interphalangeal joint (DIPJ) of the thoracic limb after administering metronidazole to standing horses by intravenous regional limb perfusion (IVRLP).

Methods:  Eleven healthy horses had a wide rubber tourniquet applied to the proximal aspect of the antebrachium for 0.5 hours and 500 mg of metronidazole diluted in physiologic saline solution to a total volume of 108 mL was administered by cephalic IVRLP. Read More

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Succussed Serial Dilutions in Water Carry Solute Information via Solute-Specific Water Structures-A Theory Based on Quantum Electrodynamics.

Homeopathy 2021 May 12. Epub 2021 May 12.

Independent Researcher, Howrah, West Bengal, India.

Active ingredients are unlikely to be present in homeopathic dilutions that surpass the Avogadro limit. Yet responses of biological systems to these substances-chemically equivalent to water and indistinguishable from one another-are specific to the materials that are diluted away. This article addresses this challenging problem of homeopathy by identifying its underlying cause through a quantum electrodynamics-based "structural model" stated as: Succussed serial dilutions in water carry information about the solute via solute-specific water structures. Read More

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The role of the 2D-to-3D transition in X-ray diffraction analysis of crystallite size.

J Phys Condens Matter 2021 May 12. Epub 2021 May 12.

Physics, Curtin University, Kent Street, Perth, Western Australia, 6210, AUSTRALIA.

The diffraction behaviour of stacked layers of graphene and hexagonal boron nitride (h-BN) are studied computationally by direct calculation of the diffraction pattern using the Debye scattering equation. Analysis of the position and prole of the diffraction peaks show that while single-layer graphene is unambiguously a 2D material, ordered stacks of three or more layers diffract as bulk material. Following the Scherrer equation, we correlate the known crystallite size with the diffraction peak parameters and observe strong affine relationships which exist separately for single-layer, bi- layer and three or more layer (bulk) structures. Read More

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Disassembly and reassembly of diphenylalanine crystals through evaporation of solvent.

J Colloid Interface Sci 2021 Apr 17;599:661-666. Epub 2021 Apr 17.

Beijing National Laboratory for Molecular Sciences (BNLMS), CAS Key Lab of Colloid, Interface and Chemical Thermodynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China; University of Chinese Academy of Science, Beijing 100049, China. Electronic address:

Hypothesis: Crystalline self-assemblies of diphenylalanine (FF) are since long back considered to be related to Alzheimer's disease. An improved understanding of the mechanism behind the formation of such structures can lead to strategies for investigating the dynamic processes of assembly and disassembly of FF.

Experiment: The assembly, disassembly and reassembly of FF crystals are influenced by the solvent composition and can be triggered by evaporation of solvent. Read More

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Multilayered graphene/boron nitride/thermoplastic polyurethane composite films with high thermal conductivity, stretchability, and washability for adjustable-cooling smart clothes.

J Colloid Interface Sci 2021 Apr 28;599:611-619. Epub 2021 Apr 28.

Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei 10607, Taiwan. Electronic address:

Polymers having high filler loading levels are not able to meet the increasing requirements of thermal interface materials by themselves; therefore, fillers and structures with unique advantages have been developed. In this study, mechanical mixing was used to disperse graphene nanoplatelets (GNPs) and boron nitride (BN) fillers inside thermoplastic polyurethane (TPU)-based films, which were then compounded into a multilayered structure. The multilayered BN-GNP/TPU composite film created during this study exhibited a high thermal conductivity of 6. Read More

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Bioengineering in vitro models of embryonic development.

Stem Cell Reports 2021 May;16(5):1104-1116

Hubrecht Institute-KNAW (Royal Netherlands Academy of Arts and Sciences) and University Medical Center Utrecht, Utrecht, the Netherlands. Electronic address:

Stem cell-based in vitro models of embryonic development have been established over the last decade. Such model systems recapitulate aspects of gametogenesis, early embryonic development, or organogenesis. They enable experimental approaches that have not been possible previously and have the potential to greatly reduce the number of animals required for research. Read More

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Cu- and Cu-Cage Sil- and Germsesquioxanes: Synthetic and Structural Features, Oxidative Rearrangements, and Catalytic Activity.

Inorg Chem 2021 May 12. Epub 2021 May 12.

Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences (RAS), Vavilov Strasse 28, Moscow 119991, Russia.

This study reports intriguing features in the self-assembly of cage copper(II) silsesquioxanes in the presence of air. Despite the wide variation of solvates used, a series of prismatic hexanuclear Cu cages (-) were assembled under mild conditions. In turn, syntheses at higher temperatures are accompanied by side reactions, leading to the oxidation of solvates (methanol, 1-butanol, and tetrahydrofuran). Read More

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Azetidine-Bearing Non-Ribosomal Peptides, Bonnevillamides D and E, Isolated from a Carrion Beetle-Associated Actinomycete.

J Org Chem 2021 May 12. Epub 2021 May 12.

Natural Products Research Institute, College of Pharmacy, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Republic of Korea.

Two new nonribosomal peptides, bonnevillamides D and E ( and ), have been discovered in sp. UTZ13 isolated from the carrion beetle, . Combinational analysis of the UV, MS, and NMR spectroscopic data revealed that their planar structures were comprised of dichlorinated linear peptides containing nonproteinogenic amino acid residues, such as 4-methylazetidinecarboxylic acid and 4--acetyl-5-methylproline. Read More

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Identifying anthropogenic features at Seoke (Botswana) using pXRF: Expanding the record of southern African Stone Walled Sites.

PLoS One 2021 12;16(5):e0250776. Epub 2021 May 12.

McDonald Institute for Archaeological Research, University of Cambridge, Cambridge, United Kingdom.

Numerous and extensive 'Stone Walled Sites' have been identified in southern African Iron Age landscapes. Appearing from around 1200 CE, and showing considerable variability in size and form, these settlements are named after the dry-stone wall structures that characterize them. Stone Walled Sites were occupied by various Bantu-speaking agropastoral communities. Read More

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Cloud model-based evaluation of landslide dam development feasibility.

PLoS One 2021 12;16(5):e0251212. Epub 2021 May 12.

State Key Laboratory of Hydraulics and Mountain River Engineering, Sichuan University, Chengdu, Sichuan, China.

As natural backwater structures, landslide dams both threaten downstream human settlement or infrastructure and contain abundant hydro-energy and tourism resources, so research on their development feasibility is of great significance for permanently remedying them and effectively turning disasters into benefits. Through an analysis of the factors influencing landslide dam development and utilization, an index system (consisting of target, rule, and index layers) for evaluating development feasibility was constructed in this paper. Considering uncertainty and randomness in development feasibility evaluation, a cloud model-improved evaluation method was proposed to determine membership and score clouds based on the uncertainty reasoning of cloud model, and a cloud model-improved analytic hierarchy process (AHP-Cloud Model) was introduced to obtain weights. Read More

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Molecular dynamics shows complex interplay and long-range effects of post-translational modifications in yeast protein interactions.

PLoS Comput Biol 2021 May 12;17(5):e1008988. Epub 2021 May 12.

KU Leuven, Centre of Microbial and Plant Genetics, Leuven, Belgium.

Post-translational modifications (PTMs) play a vital, yet often overlooked role in the living cells through modulation of protein properties, such as localization and affinity towards their interactors, thereby enabling quick adaptation to changing environmental conditions. We have previously benchmarked a computational framework for the prediction of PTMs' effects on the stability of protein-protein interactions, which has molecular dynamics simulations followed by free energy calculations at its core. In the present work, we apply this framework to publicly available data on Saccharomyces cerevisiae protein structures and PTM sites, identified in both normal and stress conditions. Read More

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Understanding the benefits and limitations of continuous, risk-based, consultation peer-review in out-of-hours general practice: A qualitative interview study.

Br J Gen Pract 2021 May 11. Epub 2021 May 11.

University of Bristol Medical School, Centre for Academic Primary Care, Bristol, United Kingdom.

Background: Systems to detect and minimise unwarranted variation in clinician practice are crucial to ensure increasingly multidisciplinary healthcare workforces are supported to practice to their full potential. Such systems are limited in English general practice settings, with implications for the efficiency and safety of care.

Aim: To evaluate the benefits and limitations of a continuous, risk-based, consultation peer-review system used for 10 years by an out-of-hours general practice service in Bristol, UK. Read More

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General practice responses to opioid prescribing feedback: a qualitative process evaluation.

Br J Gen Pract 2021 May 11. Epub 2021 May 11.

University of Leeds, Academic Unit of Primary Care, Leeds, United Kingdom.

Background: The rise in opioid prescribing in primary care represents a significant public health challenge, associated with increased psychosocial problems, hospitalisations and mortality. We developed and implemented an evidence-based bi-monthly feedback intervention to reduce opioid prescribing targeting 316 general practices in West Yorkshire over one year.

Aim: To understand how general practice staff received and responded to the feedback intervention. Read More

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Generating an Adaptive and Robust Walking Pattern for a Prosthetic Ankle-Foot by Utilizing a Nonlinear Autoregressive Network With Exogenous Inputs.

IEEE Trans Neural Netw Learn Syst 2021 May 12;PP. Epub 2021 May 12.

One of the major challenges in developing powered lower limb prostheses is emulating the behavior of an intact lower limb with different walking speeds over diverse terrains. Numerous studies have been conducted on control algorithms in the field of rehabilitation robotics to achieve this overarching goal. Recent studies on powered prostheses have frequently used a hierarchical control scheme consisting of three control levels. Read More

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Multitask GANs for Semantic Segmentation and Depth Completion With Cycle Consistency.

IEEE Trans Neural Netw Learn Syst 2021 May 12;PP. Epub 2021 May 12.

Semantic segmentation and depth completion are two challenging tasks in scene understanding, and they are widely used in robotics and autonomous driving. Although several studies have been proposed to jointly train these two tasks using some small modifications, such as changing the last layer, the result of one task is not utilized to improve the performance of the other one despite that there are some similarities between these two tasks. In this article, we propose multitask generative adversarial networks (Multitask GANs), which are not only competent in semantic segmentation and depth completion but also improve the accuracy of depth completion through generated semantic images. Read More

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Systemic, Racial Justice-Informed Solutions to Shift "Care" From the Criminal Legal System to the Mental Health Care System.

Psychiatr Serv 2021 May 12:appips202000735. Epub 2021 May 12.

Department of Psychiatry and Behavioral Sciences, Morehouse School of Medicine, and Lorio Forensics, Atlanta (Vinson); University of Georgia School of Law, Athens (Dennis).

The current configuration and function of U.S. societal structures drives the overrepresentation of people with serious mental illness in the criminal legal system. Read More

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Superhalogens Among 3-Metal Compounds: F, F, F, and F ( = Sc-Zn).

J Phys Chem A 2021 May 12. Epub 2021 May 12.

Institute for Micromanufacturing, Louisiana Tech University, Ruston, Louisiana 71272, United States.

The ground states of the neutral and anionic tetrafluoride and hexafluoride series of 3-metal atoms from Sc to Zn were assigned by using a double-check approach in which the pure and hybrid density functional methods were interchangeably used. It was confirmed that all these neutral fluorides are superhalogens except for TiF. The electron affinities of the hexafluorides were shown to be consistently higher than those of the tetrafluorides in accordance with the superhalogen conception of the extra electron delocalization over a larger number of the electronegative ligands. Read More

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Comment on "Iterative Cup Overlapping: An Efficient Identification Algorithm for Cage Structures of Amorphous Phase Hydrates".

J Phys Chem B 2021 May 12. Epub 2021 May 12.

Key Laboratory of Petroleum Resource Research, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing 100029, China.

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DeepBSP-a Machine Learning Method for Accurate Prediction of Protein-Ligand Docking Structures.

J Chem Inf Model 2021 May 12. Epub 2021 May 12.

Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China.

In recent years, machine-learning-based scoring functions have significantly improved the scoring power. However, many of these methods do not perform well in distinguishing the native structure from docked decoy poses due to the lack of decoy structural information in their training data. Here, we developed a machine-learning model, named DeepBSP, that can directly predict the root mean square deviation (rmsd) of a ligand docking pose with reference to its native binding pose. Read More

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Shear-Rolling Process for Unidirectionally and Perpendicularly Oriented Sub-10-nm Block Copolymer Patterns on the 4 in Scale.

ACS Nano 2021 May 12. Epub 2021 May 12.

Soft Hybrid Materials Research Center, Korea Institute of Science and Technology, Seoul 02792, Republic of Korea.

Shear alignment of the block copolymer (BCP) thin film is one of the promising directed self-assembly (DSA) methodologies for the unidirectional alignment of sub-10 nm microdomains of BCPs for next-generation nanolithography and nanowire-grid polarizers. However, because of the differences in the surface/interfacial energies at the top surface/bottom interface, the shear-induced ordering of BCP nanopatterns has been restricted to BCPs with spherical and cylindrical nanopatterns and cannot be realized for high-aspect-ratio perpendicular lamellar structures, which is essential for practical application to semiconductor pattern processes. It is still a difficult challenge to fabricate the unidirectional alignment in a short time over a large area. Read More

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EGFR Aggregation in the Brain.

ACS Chem Neurosci 2021 May 12. Epub 2021 May 12.

Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States.

Recent findings showed that preformed fibrils (PFFs) of misfolded proteins, including α-synuclein (α-syn) and amyloid-β (Aβ), activate EGFR in cell cultures and animal models of amyloid propagation. Comparing these supramolecular structures to normal EGFR ligands such as EGF and HB-EGF suggests that these PFFs might trigger the formation of high order clustering of EGFR that stimulates the aggregation of EGFR tyrosine kinase domain (EGFR-TKD) which is known to form fibrils. Subsequently, self-assembled fibril of EGFR-TKDs itself can serve as a seed to induce aggregation of monomeric forms of misfolded proteins in cytoplasm or endosomes. Read More

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Synthesis, Characterization, and Simulation of Four-Armed Megamolecules.

Biomacromolecules 2021 May 12. Epub 2021 May 12.

Departments of Chemistry and Biomedical Engineering, Northwestern University, Evanston, Illinois 60208, United States.

This paper describes the synthesis, characterization, and modeling of a series of molecules having four protein domains attached to a central core. The molecules were assembled with the "megamolecule" strategy, wherein enzymes react with their covalent inhibitors that are substituted on a linker. Three linkers were synthesized, where each had four oligo(ethylene glycol)-based arms terminated in a -nitrophenyl phosphonate group that is a covalent inhibitor for cutinase. Read More

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Activation of Carbonyl Oxygen Sites in β-Ketoenamine-Linked Covalent Organic Frameworks via Cyano Conjugation for Efficient Photocatalytic Hydrogen Evolution.

Small 2021 May 12:e2101017. Epub 2021 May 12.

Engineering Research Center of Environment-Friendly Functional Materials, Ministry of Education; Xiamen Key Laboratory of Optoelectronic Materials and Advanced Manufacturing; College of Materials Science and Engineering, Huaqiao University, Xiamen, 361021, China.

2D covalent organic frameworks (COFs) are drawing intense attention in heterogenous photocatalysis due to their porous, crystalline, and tailor-made structures. For highly efficient solar-to-chemical energy conversion, revealing and modulating active centers in the skeletons of COFs are of great importance but encounter severe challenges. Herein, it is demonstrated that cyano conjugation on a typical β-ketoenamine-linked COF via aldehyde-imine Schiff-base condensation contributes to an enhanced stable photocatalytic H -evolution rate of 1. Read More

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Structure and Reactivity of N-Heterocyclic Alkynyl Hypervalent Iodine Reagents.

Chemistry 2021 May 12. Epub 2021 May 12.

Ecole Polytechnique Federale de Lausanne, ISIC - Laboratory of Catalysis and Organic Synthesis, EPFL BCH 4306 Batiment chimie UNIL, 1015, Lausanne, SWITZERLAND.

Ethynylbenziodoxol(on)e (EBX) cyclic hypervalent iodine reagents have become popular reagents for the alkynylation of radicals and nucleophiles, but only offer limited possibilities for further structure and reactivity fine-tuning. Herein, we report the synthesis of new N -heterocyclic hypervalent iodine reagents with increased structural flexibility based on amide, amidine and sulfoximine scaffolds. Solid state structures of the reagents are reported and the analysis of the I-C alkyne bond lengths allowed assessing the trans -effect of the different substituents. Read More

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Radicals and Anions of Siloles and Germoles.

Chemistry 2021 May 12. Epub 2021 May 12.

Technion Israel Institute of Technology, Department of Chemistry, ISRAEL.

The synthesis of persistent sila- and germa-cyclo-penta-dien-yl (silolyl- and germolyl-) radicals by careful stoichiometric reduction of the corresponding halides with potassium is reported. The radicals were characterized by EPR spectroscopy and trapping reactions. The reduction of tris (trimethylsilyl)silyl-substituted halides was successful while smaller substituents (i. Read More

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Tangutidines A-C, Three Amphoteric Diterpene Alkaloids from Aconitum tanguticum.

Nat Prod Bioprospect 2021 May 12. Epub 2021 May 12.

State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, and Yunnan Key Laboratory of Natural Medicinal Chemistry, Kunming, 650201, People's Republic of China.

Three new diterpene alkaloids, tangutidines A-C (1-3), and four known alkaloids (4-7) were isolated from the whole plant of Aconitum tanguticum, from which amphoteric diterpene alkaloids (1-3) were obtained for the first time. The structures of 1-3 were elucidated by detailed interpretation of spectroscopic data, including MS and NMR data. All of them were evaluated for their cytotoxic activities. Read More

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Characithecium spp. (Monogenea: Dactylogyridae) from Astyanax bimaculatus (Characiformes: Characidae) in Northeast Brazil, with Description of a New Species.

Acta Parasitol 2021 May 12. Epub 2021 May 12.

Department of Biological Sciences, Regional University of Cariri (Urca), Rua Coronel Antônio Luiz, n° 1,161, Crato, Ceará, 63105-000, Brazil.

Purpose: To date, seven species of Characithecium Mendonza-Franco, Reina and Torchin, 2009 (Monogenea, Dactylogyridae) are valid, parasitizing mainly fishes of the family Characidae (Characiformes) in the Neotropical region. During a parasitological study of fishes in the Batateiras River and Carás stream, Ceará state, Brazil, two species of Characithecium were collected from the gills of Astyanax bimaculatus Linnaeus, 1758 (Characidae). The purpose of the present study is to describe a new species of monogenean of the genus Characithecium and report Characithecium costaricensis Mendoza-Franco, Reina and Torchin, 2009 in A. Read More

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Impact of Bi Doping into Boron Nitride Nanosheets on Electronic and Optical Properties Using Theoretical Calculations and Experiments.

Nanoscale Res Lett 2021 May 12;16(1):82. Epub 2021 May 12.

Department of Physics, College of Science, King Faisal University, P.O. Box 400, Al-Ahsa, 31982, Saudi Arabia.

In the present work, boron nitride (BN) nanosheets were prepared through bulk BN liquid phase exfoliation while various wt. ratios (2.5, 5, 7. Read More

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Nickel-Cobalt Hydroxides with Tunable Thin-Layer Nanosheets for High-Performance Supercapacitor Electrode.

Nanoscale Res Lett 2021 May 12;16(1):83. Epub 2021 May 12.

School of Physics and Electronics, Central South University, Changsha, 410083, China.

Layered double hydroxides as typical supercapacitor electrode materials can exhibit superior energy storage performance if their structures are well regulated. In this work, a simple one-step hydrothermal method is used to prepare diverse nickel-cobalt layered double hydroxides (NiCo-LDHs), in which the different contents of urea are used to regulate the different nanostructures of NiCo-LDHs. The results show that the decrease in urea content can effectively improve the dispersibility, adjust the thickness and optimize the internal pore structures of NiCo-LDHs, thereby enhancing their capacitance performance. Read More

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