172,419 results match your criteria Atomic Energy[Journal]


Dimer stilbene, a resveratrol analogue exhibits synergy with antibiotics that target protein synthesis in eradicating Staphylococcus aureus infection.

Biochimie 2022 Jun 27. Epub 2022 Jun 27.

Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai, 400 085, India; Homi Bhabha National Institute, Anushaktinagar, Mumbai, 400 094, India. Electronic address:

Antibiotic resistance has become a major hurdle for successful treatment of several infections resulting in increased length of stay in hospitals and mortality. One of the notorious pathogens that wreaks havoc due to antibiotic resistance is Staphylococcus aureus. There is an urgent need to discover and understand the function of newer molecules that could serve in the arsenal to combat these bacteria. Read More

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Atomistic origin of nano-silver paracrystalline structure: molecular dynamics and x-ray diffraction studies.

J Phys Condens Matter 2022 Jun 30. Epub 2022 Jun 30.

A. Chelkowski Institute of Physics, University of Silesia in Katowice Institute of Physics named after August Chełkowski, 75 Pulku Piechoty 1, Chorzow, Silesian, 41-500, POLAND.

Classical molecular dynamics and x-ray diffraction have been used to establish the origin of the paracrystalline structure of silver nanoparticles at the atomic scale. Models based on the face-centred cubic structure have been computer generated and their atomic arrangements have been optimized by the molecular dynamics with the embedded-atom model (EAM) potential and its modified version (MEAM). The simulation results are compared with the experimental x-ray diffraction data in reciprocal and real spaces, i. Read More

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Ultrasound assisted chitosan coated iron oxide nanoparticles: Influence of ultrasonic irradiation on the crystallinity, stability, toxicity and magnetization of the functionalized nanoparticles.

Ultrason Sonochem 2022 Jun 21;88:106072. Epub 2022 Jun 21.

Department of Physics, Kaduna State University, Nigeria; Sabanci University Nanotechnology Research and Application Center (SUNUM), Turkey. Electronic address:

Due to unique reaction conditions of the acoustic cavitation process, ultrasound-assisted synthesis of nanoparticles has attracted increased research attention. In this study, we demonstrate the effect of ultrasonic irradiation on the crystallinity, stability, biocompatibility, and magnetic properties of chitosan-coated superparamagnetic iron oxide nanoparticles (CS-SPIONs). CS solution and colloidal suspension of SPIONs were mixed and sonicated using an ultrasonic probe of 1. Read More

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Ultra-Sensitive Determination of Particulate, Gaseous Inorganic and Organic Iodine-129 and Iodine-127 in Ambient Air.

Anal Chem 2022 Jun 30. Epub 2022 Jun 30.

State Key Laboratory of Loess and Quaternary Geology, Shaanxi Key Laboratory of Accelerator Mass Spectrometry Technology and Application, Xi'an AMS Center, Institute of Earth Environment CAS, Xi'an 710061, China.

Atmospheric iodine cycling is of significance in climate change and environmental and health impacts. To better explore speciation transformation of atmospheric stable and radioactive iodine, an ultra-sensitive analytical method was established for determination of I and I in particulate, gaseous inorganic, and gaseous organic species, which was conducted with a self-designed cascade sampling apparatus, followed by their separation with a pyrolysis system and accelerator mass spectrometry and ICP-MS measurements. Combustion protocols for three sampling matrices and NaOH concentration for iodine trapping were optimized to achieve a safe analytical procedure with a high chemical yield of iodine. Read More

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Green Synthesis Magnetite (FeO) Nanoparticles from Rhus Coriaria extract: A Characteristic Comparison with a Conventional Chemical Method.

IEEE Trans Nanobioscience 2022 Jun 30;PP. Epub 2022 Jun 30.

In recent years, nanotechnology has become one of the most important and exciting avant-gardes, without exception, in all fields of science. Through nanotechnology, novel materials and devices can be industrialized with atomic precision. In general, there are three main methods for synthesizing NPs: Chemical, physical and biological, or green methods. Read More

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Scutellarein Attenuates Atopic Dermatitis by Selectively Inhibiting Transient Receptor Potential Vanilloid 3.

Br J Pharmacol 2022 Jun 30. Epub 2022 Jun 30.

State Key Laboratory of Natural Medicines and Department of TCM Pharmacology, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, China.

Background And Purpose: Atopic dermatitis (AD) is one of the most common chronic inflammatory cutaneous diseases with unmet clinical needs. As a common ingredient found in several medicinal herbs with efficacy on cutaneous inflammatory diseases, Scutellarein (Scu) has been shown to possess anti-inflammatory and anti-proliferative activities. We aimed to evaluate the therapeutic efficacy of Scu against AD and its underlying molecular mechanism. Read More

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Solid-state NMR C and  N resonance assignments of Vibrio sp. SemiSWEET transporter in lipid bilayers.

Biomol NMR Assign 2022 Jun 30. Epub 2022 Jun 30.

Chinese Academy of Sciences, National Center for Magnetic Resonance in Wuhan, Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Wuhan, 430071, People's Republic of China.

The Sugar Will Eventually be Exported Transporter (SWEET) family is a new class of transporters that plays crucial roles in the cellular sugar transport process. Their bacterial homologs, known as SemiSWEETs, are among the smallest transporters and can be used as a prototype for studying the biological properties of sugar transporters. Here, a set of dipolar-based multidimensional solid-state NMR spectra were employed to investigate the structure of Vibrio sp. Read More

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An eco-friendly removal of Cd(II) utilizing banana pseudo-fibre and Moringa bark as indigenous green adsorbent and modelling of adsorption by artificial neural network.

Environ Sci Pollut Res Int 2022 Jun 30. Epub 2022 Jun 30.

Department of Chemical Engineering, National Institute of Technology Agartala, Agartala, Tripura, 799046, India.

Heavy metal-contaminated water can be effectively treated using adsorbents made from abundantly available biomass. The present investigation was carried out to adsorb Cd(II) from synthetic solution by banana pseudo-stem (BP) and Moringa oleifera stem bark (MB). Adsorption efficiencies of both adsorbents were studied in the batch reactor by conducting experiments to determine the consequences of changes of pH, adsorbent dosages, initial Cd(II) concentrations, incubation time, and temperature. Read More

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Biosorption of uranium by immobilized Nostoc sp. and Scenedesmus sp.: kinetic and equilibrium modeling.

Environ Sci Pollut Res Int 2022 Jun 30. Epub 2022 Jun 30.

Department of Botany and Microbiology, Faculty of Science, Zagazig University, Zagazig, 44519, Egypt.

Different activities related to uranium mining and nuclear industry may have a negative impact on the environment. Bioremediation of nuclear pollutants using microorganisms is an effective, safe, and economic method. The present study compared the uranium biosorption efficiency of two immobilized algae: Nostoc sp. Read More

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Novel silver metformin nano-structure to impede virulence of Staphylococcus aureus.

AMB Express 2022 Jun 30;12(1):84. Epub 2022 Jun 30.

Department of Microbiology and Immunology, Faculty of Pharmacy, Zagazig University,, Zagazig, Egypt.

Staphylococcus aureus is a prevalent etiological agent of health care associated and community acquired infections. Antibiotic abuse resulted in developing multidrug resistance in S. aureus that complicates treatment of infections. Read More

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Singular behaviour of atomic ordering in Pt-Co nanocubes starting from core-shell configurations.

Nanoscale 2022 Jun 30. Epub 2022 Jun 30.

School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292, Japan.

The ordered structure of platinum-cobalt (Pt-Co) alloy nanoparticles has been studied actively because the structure influences their magnetic and catalytic properties. On the Pt-Co alloy's surface, Pt atoms preferentially segregate during annealing to reduce the surface energy. Such surface segregation has been shown to promote the formation of an ordered structure near the surface of Pt-Co thin films. Read More

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Selective Semihydrogenation of Polarized Alkynes by a Gold Hydride Nanocluster.

J Am Chem Soc 2022 Jun 30. Epub 2022 Jun 30.

Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.

The hydridic hydrogen in nanogold catalysts has long been postulated as an important intermediate in hydrogenation reactions, but it has not been directly observed. Here, we report the synthesis of a new undecagold cluster with a bidentate phosphine ligand. The chelating effects of the bidentate ligand result in a more symmetric Au core with two labile Cl ligands that can exchange with BH, leading to a novel undecagold hydride cluster. Read More

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Polyhedral Oligomeric Silsesquioxane Encountering Tannic Acid: A Mild and Efficient Strategy for Interface Modification on Carbon Fiber Composites.

Langmuir 2022 Jun 30. Epub 2022 Jun 30.

School of Materials Science and Engineering, Shandong University of Science and Technology, 266590 Qingdao, People's Republic of China.

Designing and controlling the interfacial chemistry and microstructure of the carbon fiber is an important step in the surface modification and preparation of high-performance composites. To address this issue, a tannic acid (TA)/polyhedral oligomeric silsesquioxane (POSS) hybrid microstructure, similar to the topological structure, is designed on the fiber surface by one-pot synthesis under mild conditions. Fourier transform infrared (FT-IR), X-ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM) show that the functionality and surface roughness of the fiber are significantly broadened. Read More

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Slow Magnetic Relaxation of Dy Adatoms with In-Plane Magnetic Anisotropy on a Two-Dimensional Electron Gas.

ACS Nano 2022 Jun 30. Epub 2022 Jun 30.

Istituto di Struttura della Materia (ISM), Consiglio Nazionale delle Ricerche (CNR), I-34149 Trieste, Italy.

We report on the magnetic properties of Dy atoms adsorbed on the (001) surface of SrTiO. X-ray magnetic circular dichroism reveals slow relaxation of the Dy magnetization on a time scale of about 800 s at 2.5 K, unusually associated with an easy-plane magnetic anisotropy. Read More

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Predicting third-body collision efficiencies for water and other polyatomic baths.

Authors:
Ahren W Jasper

Faraday Discuss 2022 Jun 30. Epub 2022 Jun 30.

Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, USA.

Low-pressure-limit microcanonical (collisional activation) and thermal rate constants are predicted using a combination of automated potential energy surface construction, classical trajectories, transition state theory, and a detailed energy- and angular-momentum-resolved collision kernel. Several systems are considered, including CH (+M) and HO (+M), with an emphasis on systems where experimental information is available for comparison. The approach involves no adjustable parameters, and we show that the predicted thermal rate constants are in excellent agreement with experiments, with average deviations of less than 25%. Read More

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Reduction of Cardiac Fibrosis by Interference With YAP-Dependent Transactivation.

Circ Res 2022 Jun 30:101161CIRCRESAHA121319373. Epub 2022 Jun 30.

Department of Mechanical and Aerospace Engineering, Politecnico di Torino, Turin, Italy (M.S., D.C., F. Molinari, D.M., U.M.).

Background: Conversion of cardiac stromal cells into myofibroblasts is typically associated with hypoxia conditions, metabolic insults, and/or inflammation, all of which are predisposing factors to cardiac fibrosis and heart failure. We hypothesized that this conversion could be also mediated by response of these cells to mechanical cues through activation of the Hippo transcriptional pathway. The objective of the present study was to assess the role of cellular/nuclear straining forces acting in myofibroblast differentiation of cardiac stromal cells under the control of YAP (yes-associated protein) transcription factor and to validate this finding using a pharmacological agent that interferes with the interactions of the YAP/TAZ (transcriptional coactivator with PDZ-binding motif) complex with their cognate transcription factors TEADs (TEA domain transcription factors), under high-strain and profibrotic stimulation. Read More

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Injection Effect of Anti-CD3 Monoclonal Antibody on Primo Vessel in Lymph Vessel of Rabbit with Lipopolysaccharide-Induced Inflammation.

J Acupunct Meridian Stud 2022 Feb;15(1):37-42

Department of Oriental Biomedical Engineering, College of Health and Medical Sciences, Sangji University, Wonju, Korea.

Background: The primo vascular system can be viewed as a circulatory system that plays a therapeutic function in regenerating the body tissue. The anti-CD3 monoclonal antibody was used as an immunotherapeutic agent to treat the novel coronavirus infection (COVID-19). Objectives: In this study, we observed the effect of injecting lymph nodes with Foralumab, an anti- human CD3 epsilon therapeutic monoclonal antibody, on primo vessels. Read More

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February 2022

Online Orbital Explorer and Game for Inquiry-Based Activities.

J Chem Educ 2022 May 24;99(5):2135-2142. Epub 2022 Mar 24.

Laboratory for Biomolecular Simulation Research, and Department of Chemistry and Chemical Biology, Rutgers the State University of New Jersey, New Brunswick, New Jersey 08901-8554, United States.

We report a new online suite of tools that enables inquiry-based active-learning activities to develop students' representational competence about atomic orbitals. Orbital Explorer is Web site hub for the visualization and interactive investigation of atomic orbital properties. Orbital Explorer contains two integrated tools, namely, Atomic Orbital Explorer, which enables one to visualize and interrogate individual atomic orbitals, and Orbital RDF Comparison, which enables one to make a more detailed quantitative comparison of orbital energies and properties of orbital radial distribution functions (RDFs). Read More

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Solution NMR methods for structural and thermodynamic investigation of nanoparticle adsorption equilibria.

Nanoscale Adv 2022 Jun 10;4(12):2583-2607. Epub 2022 May 10.

Department of Chemistry, Iowa State University Hach Hall, 2438 Pammel Drive Ames Iowa 50011 USA +1-515-294-7550 +1-515-294-1044.

Characterization of dynamic processes occurring at the nanoparticle (NP) surface is crucial for developing new and more efficient NP catalysts and materials. Thus, a vast amount of research has been dedicated to developing techniques to characterize sorption equilibria. Over recent years, solution NMR spectroscopy has emerged as a preferred tool for investigating ligand-NP interactions. Read More

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AlphaFold Models of Small Proteins Rival the Accuracy of Solution NMR Structures.

Front Mol Biosci 2022 13;9:877000. Epub 2022 Jun 13.

Department of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY, United States.

Recent advances in molecular modeling using deep learning have the potential to revolutionize the field of structural biology. In particular, AlphaFold has been observed to provide models of protein structures with accuracies rivaling medium-resolution X-ray crystal structures, and with excellent atomic coordinate matches to experimental protein NMR and cryo-electron microscopy structures. Here we assess the hypothesis that AlphaFold models of small, relatively rigid proteins have accuracies (based on comparison against experimental data) similar to experimental solution NMR structures. Read More

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Phosphorylation Induced Conformational Transitions in DNA Polymerase .

Front Mol Biosci 2022 13;9:900771. Epub 2022 Jun 13.

Department of Physics, Khalifa University of Science and Technology, Abu Dhabi, United Arab Emirates.

DNA polymerase (pol ) is a member of the X- family of DNA polymerases that catalyze the distributive addition of nucleoside triphosphates during base excision DNA repair. Previous studies showed that the enzyme was phosphorylated with PKC at two serines (44 and 55), causing loss of DNA polymerase activity but not DNA binding. In this work, we have investigated the phosphorylation-induced conformational changes in DNA polymerase in the presence of Mg ions. Read More

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Conformational Selectivity of Merocyanine on Nanostructured Silver Films: Surface Enhanced Resonance Raman Scattering (SERRS) and Density Functional Theoretical (DFT) Study.

Front Chem 2022 13;10:902585. Epub 2022 Jun 13.

Radiation & Photochemistry Division, Bhabha Atomic Research Centre, Mumbai, India.

In this study, detailed structural and vibrational analysis of merocyanine has been investigated using Raman, surface enhanced Raman scattering (SERS) and surface-enhanced resonance Raman scattering (SERRS). The Raman, SERS and SERRS studies aided by density functional theoretical (DFT) calculations clearly established the prevalence of the trans- and cis-conformers of the protonated form of merocyanine (MCH) in solid and acetonitrile solution. The binding characteristics of merocyanine adsorbed on nanostructured silver-coated films (SCFs) were investigated using excitation-dependent SERS, concentration-dependent SERRS and DFT studies. Read More

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Layer-by-layer epitaxy of multi-layer MoS wafers.

Natl Sci Rev 2022 Jun 21;9(6):nwac077. Epub 2022 Apr 21.

Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.

The 2D semiconductor of MoS has great potential for advanced electronics technologies beyond silicon. So far, high-quality monolayer MoS wafers have been available and various demonstrations from individual transistors to integrated circuits have also been shown. In addition to the monolayer, multilayers have narrower band gaps but improved carrier mobilities and current capacities over the monolayer. Read More

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Characterization of an Innovative Biomaterial Derived From Human Wharton's Jelly as a New Promising Coating for Tissue Engineering Applications.

Front Bioeng Biotechnol 2022 13;10:884069. Epub 2022 Jun 13.

Université de Lorraine, CNRS, IMoPA, Nancy, France.

The extracellular matrix (ECM) offers the opportunity to create a biomaterial consisting of a microenvironment with interesting biological and biophysical properties for improving and regulating cell functions. Animal-derived ECM are the most widely used as an alternative to human tissues that are of very limited availability. However, incomplete decellularization of these tissues presents a high risk of immune rejection and disease transmission. Read More

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Computational exploration of maternal embryonic leucine zipper kinase (MELK) as a cancer drug target.

Saudi J Biol Sci 2022 Jul 1;29(7):103335. Epub 2022 Jun 1.

Department of Biology, College of Science, University of Hafr Al Batin, Hafr Al Batin 31991, Saudi Arabia.

Maternal embryonic leucine zipper kinase (MELK) is of vital importance due to its significant role in cancer development and its association with poor prognosis in different cancers. Here, we employed several computer aided drug design approaches to shortlist potential binding molecules of MELK. For virtual screening, asinex oncology library (containing 6334 drugs) and comprehensive marine natural products database (containing approximately 32,000 drugs) were used. Read More

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Pollution and risk assessment of heavy metals in water, sediment and fish (Clarias gariepinus) in a fish farm cluster in Niger Delta region, Nigeria.

J Water Health 2022 Jun;20(6):927-945

Department of Pure and Industrial Chemistry, University of Nigeria, Nsukka, Enugu State, Nigeria E-mail:

The study determined the following heavy metals: cadmium (Cd), chromium (Cr), copper (Cu), manganese (Mn), lead (Pb) and zinc (Zn) concentrations in surface water and in fish pond (water, sediments and farmed fish (Clarias gariepinus)) from a fish farm cluster with the view of assessing its pollution level and associated human health exposure risk to these heavy metals through fish consumption. Samples were digested with aqua regia and metal concentrations were determined with an atomic absorption spectrophotometer equipped with an air acetylene flame. Mean concentrations of the heavy metals (ppm) in surface and pond water ranged as follows: cadmium (below detection limit (bdl): 0. Read More

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Chiral molecular intercalation superlattices.

Nature 2022 Jun 29;606(7916):902-908. Epub 2022 Jun 29.

Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA, USA.

The discovery of chiral-induced spin selectivity (CISS) opens up the possibility to manipulate spin orientation without external magnetic fields and enables new spintronic device designs. Although many approaches have been explored for introducing CISS into solid-state materials and devices, the resulting systems so far are often plagued by high inhomogeneity, low spin selectivity or limited stability, and have difficulties in forming robust spintronic devices. Here we report a new class of chiral molecular intercalation superlattices (CMIS) as a robust solid-state chiral material platform for exploring CISS. Read More

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Effect of distributed Bragg reflectors on photoluminescence properties of CHNHPbI film.

Sci Rep 2022 Jun 29;12(1):10934. Epub 2022 Jun 29.

School of Physics, Dalian University of Technology, Dalian, 116024, People's Republic of China.

The nanoporous (NP) GaN distributed Bragg reflector (DBR) was prepared by using electrochemical etching. Then the NP-GaN DBR was pretreated by using ozone treatment. Atomic force microscopy and X-ray diffraction (XRD) were used to investigate the influence of ozone treatment on the structure of the substrates. Read More

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Scanning gradiometry with a single spin quantum magnetometer.

Nat Commun 2022 Jun 29;13(1):3761. Epub 2022 Jun 29.

Department of Physics, ETH Zurich, Otto Stern Weg 1, 8093, Zurich, Switzerland.

Quantum sensors based on spin defects in diamond have recently enabled detailed imaging of nanoscale magnetic patterns, such as chiral spin textures, two-dimensional ferromagnets, or superconducting vortices, based on a measurement of the static magnetic stray field. Here, we demonstrate a gradiometry technique that significantly enhances the measurement sensitivity of such static fields, leading to new opportunities in the imaging of weakly magnetic systems. Our method relies on the mechanical oscillation of a single nitrogen-vacancy center at the tip of a scanning diamond probe, which up-converts the local spatial gradients into ac magnetic fields enabling the use of sensitive ac quantum protocols. Read More

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Vertex protein PduN tunes encapsulated pathway performance by dictating bacterial metabolosome morphology.

Nat Commun 2022 Jun 29;13(1):3746. Epub 2022 Jun 29.

Department of Chemical and Biological Engineering, Northwestern University, Evanston, IL, USA.

Engineering subcellular organization in microbes shows great promise in addressing bottlenecks in metabolic engineering efforts; however, rules guiding selection of an organization strategy or platform are lacking. Here, we study compartment morphology as a factor in mediating encapsulated pathway performance. Using the 1,2-propanediol utilization microcompartment (Pdu MCP) system from Salmonella enterica serovar Typhimurium LT2, we find that we can shift the morphology of this protein nanoreactor from polyhedral to tubular by removing vertex protein PduN. Read More

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