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Platinum complexes inhibit HER-2 enriched and triple-negative breast cancer cells metabolism to suppress growth, stemness and migration by targeting PKM/LDHA and CCND1/BCL2/ATG3 signaling pathways.

Eur J Med Chem 2021 Jul 7;224:113689. Epub 2021 Jul 7.

Inner Mongolia University Research Center for Glycochemistry of Characteristic Medicinal Resources, School of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot, 010021, PR China. Electronic address:

Triple-negative-breast cancer (TNBC) and HER-2 enriched positive aggressive types of breast cancer and are highly metastatic in nature. Anticancer agents those target TNBC and HER-2 enriched positive breast cancers are considered important in the field of breast cancer research. In search of the effective anticancer agents, we synthesized Pt(II) complexes to target these cancers. Read More

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Functional evolution of a bark beetle odorant receptor clade detecting monoterpenoids of different ecological origins.

Mol Biol Evol 2021 Jul 22. Epub 2021 Jul 22.

Department of Biology, Lund University, Lund, Sweden.

Insects detect odors using an array of odorant receptors (ORs), which may expand through gene duplication. How and which new functions may evolve among related ORs within a species remain poorly investigated. We addressed this question by functionally characterizing ORs from the Eurasian spruce bark beetle Ips typographus, in which physiological and behavioral responses to pheromones, volatiles from host and non-host trees, and fungal symbionts are well described. Read More

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An insight on the impact of teleost whole genome duplication on the regulation of the molecular networks controlling skeletal muscle growth.

PLoS One 2021 22;16(7):e0255006. Epub 2021 Jul 22.

Department of Structural and Functional Biology, Institute of Biosciences, São Paulo State University (UNESP), Botucatu, São Paulo, Brazil.

Fish muscle growth is a complex process regulated by multiple pathways, resulting on the net accumulation of proteins and the activation of myogenic progenitor cells. Around 350-320 million years ago, teleost fish went through a specific whole genome duplication (WGD) that expanded the existent gene repertoire. Duplicated genes can be retained by different molecular mechanisms such as subfunctionalization, neofunctionalization or redundancy, each one with different functional implications. Read More

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Solvent Relaxation NMR: A Tool for Real-Time Monitoring Water Dynamics in Protein Aggregation Landscape.

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

Department of Biophysics, Bose Institute, Kolkata 700054, India.

Solvent dynamics strongly induce the fibrillation of an amyloidogenic system. Probing the solvation mechanism is crucial as it enables us to predict different proteins' functionalities, such as the aggregation propensity, structural flexibility, and toxicity. This work shows that a straightforward NMR method in conjunction with phenomenological models gives a global and qualitative picture of water dynamics at different concentrations and temperatures. 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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Synthesis and interaction of terminal unsaturated chemical probes with Mycobacterium tuberculosis CYP124A1.

Bioorg Med Chem 2021 Jul 8;44:116304. Epub 2021 Jul 8.

Instituto de Química Rosario (IQUIR-CONICET), Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Suipacha 531, S2002LRK Rosario, Argentina. Electronic address:

A series of C15-C20 isoprenyl derivatives bearing terminal alkenyl and alkynyl groups were synthesized as possible substrates of the methyl-branched lipid ω-hydroxylase CYP124A1 from Mycobacterium tuberculosis. The interactions of each compound with the enzyme active site were characterized using UV-vis spectroscopy. We found that C10 and C15 analogs bind with similar affinity to the corresponding parent C10 and C15 substrates geraniol and farnesol, respectively. Read More

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Insights into Structure and Aggregation Behavior of Elastin-like Polypeptide Coacervates: All-Atom Molecular Dynamics Simulations.

J Phys Chem B 2021 Jul 21. Epub 2021 Jul 21.

Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695, United States.

The stimuli-responsive character of elastin-like polypeptides (ELP) has led to their use in a wide range of applications. The temperature-triggered aggregation, or LCST behavior, of ELPs is a complex and multistep phenomenon, which proposed to include the structural transitions, loss of hydrophobic hydration, expulsion of water molecules and physical association of chains. Thus, the origin and detailed mechanism of LCST in ELPs is difficult to elucidate. Read More

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A novel Actinidia cytorhabdovirus characterized using genomic and viral protein interaction features.

Mol Plant Pathol 2021 Jul 20. Epub 2021 Jul 20.

Key Laboratory of Plant Pathology of Hubei Province, College of Plant Science and Technology, Huazhong Agricultural University, Wuhan, China.

A novel cytorhabdovirus, tentatively named Actinidia virus D (AcVD), was identified from kiwifruit (Actinidia chinensis) in China using high-throughput sequencing technology. The genome of AcVD consists of 13,589 nucleotides and is organized into seven open reading frames (ORFs) in its antisense strand, coding for proteins in the order N-P-P3-M-G-P6-L. The ORFs were flanked by a 3' leader sequence and a 5' trailer sequence and are separated by conserved intergenic junctions. Read More

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RNA Helicase DDX17 inhibits Hepatitis B Virus Replication by Blocking Viral Pregenomic RNA Encapsidation.

J Virol 2021 Jul 21:JVI0044421. Epub 2021 Jul 21.

Department of Microbiology and Immunology, Indiana University School of Medicine Indianapolis, IN, USA.

DDX17 is a member of the DEAD-Box helicase family proteins involved in cellular RNA folding, splicing, and translation. It has been reported that DDX17 serves as a co-factor of host zinc finger antiviral protein (ZAP)-mediated retroviral RNA degradation and exerts direct antiviral function against Raft Valley Fever Virus though binding to specific stem-loop structures of viral RNA. Intriguingly, we have previously shown that ZAP inhibits Hepatitis B virus (HBV) replication through promoting viral RNA decay, and the ZAP-responsive element (ZRE) of HBV pregenomic RNA (pgRNA) contains a stem-loop structure, specifically epsilon, which serves as the packaging signal for pgRNA encapsidation. Read More

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D- and l-amino acid concentrations in culture broth of are highly dependent on the phylogenetic group of .

Biochem Biophys Rep 2021 Sep 8;27:101073. Epub 2021 Jul 8.

Core Technology Laboratories, Asahi Quality & Innovations, Ltd., 1-21, Midori 1-Chome, Moriya-Shi, Ibaraki, 302-0106, Japan.

d-amino acids produced by are thought to contribute to the taste quality and health functions; however, no studies have comprehensively evaluated the concentrations of the D- and L-forms of amino acids separately in individual strains. To gain insight into amino acid concentrations in , we evaluated amino acid concentrations in culture broth of separately for the D- and L-forms. strains were cultured in culture broth, and the amino acid concentrations in supernatant were assessed. Read More

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September 2021

Routinely measuring symptom burden and health-related quality of life in dialysis patients: first results from the Dutch registry of patient-reported outcome measures.

Clin Kidney J 2021 Jun 3;14(6):1535-1544. Epub 2020 Feb 3.

Department of Clinical Epidemiology, Leiden University Medical Centre, Leiden, The Netherlands.

Background: The use of patient-reported outcome measures (PROMs) is becoming increasingly important in healthcare. However, incorporation of PROMs into routine nephrological care is challenging. This study describes the first experience with PROMs in Dutch routine dialysis care. Read More

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Barcode medication administration technology use in hospital practice: a mixed-methods observational study of policy deviations.

BMJ Qual Saf 2021 Jul 20. Epub 2021 Jul 20.

Department of Pharmacy, Faculty of Mathematics and Natural Sciences, University of Oslo, Oslo, Norway.

Introduction: Barcode medication administration (BCMA) can, if poorly implemented, cause disrupted workflow, increased workload and cause medication errors. Further exploration is needed of the causes of BCMA policy deviations.

Objective: To gain an insight into nurses' use of barcode technology during medication dispensing and administration; to record the number and type of BCMA policy deviations, and to investigate their causes. Read More

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Active liquid crystals powered by force-sensing DNA-motor clusters.

Proc Natl Acad Sci U S A 2021 Jul;118(30)

Department of Physics, University of California, Santa Barbara, CA 93106;

Cytoskeletal active nematics exhibit striking nonequilibrium dynamics that are powered by energy-consuming molecular motors. To gain insight into the structure and mechanics of these materials, we design programmable clusters in which kinesin motors are linked by a double-stranded DNA linker. The efficiency by which DNA-based clusters power active nematics depends on both the stepping dynamics of the kinesin motors and the chemical structure of the polymeric linker. Read More

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A andomisd, controlled, double blind tudy to assess mechanstic effects of combination therapy of dapagflozin with xenatide QW versus dapagliflozin alone i obese patients with ype 2 diabetes mellitus (RESILIENT): study protocol.

BMJ Open 2021 Jul 20;11(7):e045663. Epub 2021 Jul 20.

Department of Cardiovascular and Metabolic Medicine, Institute of Life Course and Medical Sciences, University of Liverpool, Liverpool, UK.

Introduction: The newer glucose-lowering therapies for type 2 diabetes (T2D), the glucagon-like peptide-1 receptor agonists (GLP1-RAs) and the sodium-glucose co-transporter 2 inhibitors (SGLT2i), have additional clinical benefits beyond improving glycaemic control; promoting weight loss, addressing associated cardiovascular risk factors and reducing macrovascular and microvascular complications. Considering their independent mechanisms of actions, there is a potential for significant synergy with combination therapy, yet limited data exist. This 32-week randomised, double-blind, placebo-controlled trial will gain mechanistic insight into the effects of coadministration of exenatide QW, a weekly subcutaneous GLP1-RA, with dapagliflozin, a once daily oral SGLT2i, on the dynamic, adaptive changes in energy balance, total, regional and organ-specific fat mass and multiorgan insulin sensitivity. Read More

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Self-assembly of Rylene-decorated Guanine Ribbons on Graphene Surface for Optoelectronic Applications: A Theoretical Study.

Nanotechnology 2021 Jul 20. Epub 2021 Jul 20.

, University of Belgrade Institute for Multidisciplinary Research, Kneza Višeslava 1, Belgrade, 11000, SERBIA.

We are witnessing a change of paradigm from the conventional top-down to the bottom-up fabrication of nanodevices and particularly optoelectronic devices. A promising example of the bottom-up approach is self-assembling of molecules into layers with predictable and reproducible structural, electronic and optical properties. Nucleobases possess extraordinary ability to self-assembly into one-, two-, and three-dimensional structures. Read More

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CoBRA: Containerized Bioinformatics Workflow for Reproducible ChIP/ATAC-seq Analysis.

Genomics Proteomics Bioinformatics 2021 Jul 17. Epub 2021 Jul 17.

Center for Functional Cancer Epigenetics, Dana-Farber Cancer Institute, Boston, MA 02215, USA; Department of Medical Oncology, Dana-Farber Cancer Institute, Harvard Medical School, Boston, MA 02215, USA. Electronic address:

Chromatin immunoprecipitation sequencing (ChIP-seq) and the Assay for Transposase-Accessible Chromatin with high-throughput sequencing (ATAC-seq) have become essential technologies to effectively measure protein-DNA interactions and chromatin accessibility. However, there is a need for a scalable and reproducible pipeline that incorporates proper normalization between samples, correction of copy number variations, and integration of new downstream analysis tools. Here we present Containerized Bioinformatics workflow for Reproducible ChIP/ATAC-seq Analysis (CoBRA), a modularized computational workflow which quantifies ChIP-seq and ATAC-seq peak regions and performs unsupervised and supervised analyses. Read More

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IRE1α regulates skeletal muscle regeneration through Myostatin mRNA decay.

J Clin Invest 2021 Jul 20. Epub 2021 Jul 20.

College of Life Sciences, Wuhan University, Wuhan, China.

Skeletal muscle can undergo a regenerative process from injury or disease to preserve muscle mass and function, which is critically influenced by cellular stress responses. Inositol-requiring enzyme 1 (IRE1) is an ancient endoplasmic reticulum (ER) stress sensor and mediates a key branch of the unfolded protein response (UPR). In mammals, IRE1α is implicated in the homeostatic control of stress responses during tissue injury and regeneration. Read More

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Health damage to housewives by contaminants emitted from coal combustion in the Chinese countryside: focusing on day-to-day cooking.

Int Arch Occup Environ Health 2021 Jul 20. Epub 2021 Jul 20.

School of Emergency Management and Safety Engineering, China University of Mining and Technology-Beijing, Beijing, 100083, China.

Purpose: The study aimed to estimate the health damage and find out the main exposure pathways of housewives posed by polycyclic aromatic hydrocarbons (PAHs) and heavy metals (HMs) from coal combustion in rural areas of China.

Methods: We obtained the concentrations of 16 PAHs and 8 HMs from published literatures and the Monte Carlo simulation was used to process and analysis the data. Sensitivity analysis was also applied to clear parameter uncertainty and the health damage of housewives was quantitatively evaluated by loss of life expectancy. Read More

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Visualization and Analysis of the Dynamic Assembly of a Heterologous Lantibiotic Biosynthesis Complex in Bacillus subtilis.

mBio 2021 Jul 20:e0121921. Epub 2021 Jul 20.

Department of Molecular Genetics, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningengrid.4830.f, Groningen, the Netherlands.

A membrane-associated lanthipeptide synthetase complex, consisting of the dehydratase NisB, the cyclase NisC, and the ABC transporter NisT, has been described for nisin biosynthesis in the coccoid bacterium Lactococcus lactis. Here, we used advanced fluorescence microscopy to visualize the functional nisin biosynthesis machinery in rod-shaped cells and analyzed its spatial distribution and dynamics employing a platform we developed for heterologous production of nisin in Bacillus subtilis. We observed that NisT, as well as NisB and NisC, were all distributed in a punctate pattern along the cell periphery, opposed to the situation in coccoid cells. Read More

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Non-continuous positive airway pressure treatment options in obstructive sleep apnoea: A pathophysiological perspective.

Sleep Med Rev 2021 Jul 1;60:101521. Epub 2021 Jul 1.

Unit of Orthodontics and Sleep Dentistry, Department of Biomedical and Neuromotor Sciences (DIBINEM), University of Bologna, Bologna, Italy. Electronic address:

The phenotyping of the pathophysiology of obstructive sleep apnoea (OSA) lies at the core of tailored treatments and it is one of the most debated topics in sleep medicine research. Recent sophisticated techniques have broadened the horizon for gaining insight into the variability of the endotypic traits in patients with OSA which account for the heterogeneity in the clinical presentation of the disease and consequently, in the outcome of treatment. However, the implementation of these concepts into clinical practice is still a major challenge for both researchers and clinicians in order to develop tailored therapies targeted to specific endotypic traits that contribute to OSA in each individual patient. Read More

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Evaluation of guanidine-based multimodal anion exchangers for protein selectivity and orthogonality.

J Chromatogr A 2021 Jul 9;1653:462398. Epub 2021 Jul 9.

Department of Chemical and Biological Engineering and Center for Biotechnology and Interdisciplinary Studies, Rensselaer Polytechnic Institute, Troy, NY 12180, United States. Electronic address:

In this paper, we examined the chromatographic behavior of a new class of guanidine-based multimodal anion exchange resins. The selectivities and protein recoveries on these resins were first evaluated using linear gradient chromatography with a model acidic protein library at pH 5, 6 and 7. While a single-guanidine based resin exhibited significant recovery issues at high ligand density, a bis-guanidine based resin showed high recoveries of all but two of the proteins evaluated in the study. Read More

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Methane oxidation activity inhibition via high amount aged biochar application in paddy soil.

Sci Total Environ 2021 Jul 15;796:149050. Epub 2021 Jul 15.

Institute of Environment Pollution Control and Treatment, College of Environment and Resource Science, Zhejiang University, Hangzhou 310029, PR China.

Fresh biochar application has been recommended as an effective strategy to mitigate methane emissions from paddy soil due to its role in promoting potential methane oxidation (PMO). However, little is known about the effect of biochar on PMO after long-term aging. Here, a laboratory incubation experiment was performed to gain insight into the combined effects of biochar characteristics on soil PMO during the biochar aging process. Read More

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Fascinating regulatory mechanism of silicon for alleviating drought stress in plants.

Plant Physiol Biochem 2021 Jul 7;166:1044-1053. Epub 2021 Jul 7.

Department of Botany, School of Bioengineering and Biosciences, Lovely Professional University, Delhi-Jalandhar Highway, Phagwara, 144411, Punjab, India. Electronic address:

Plants confront several environmental stresses that are crucial in defining plant productivity. Among these environmental stresses, drought stress is recognized as the foremost abiotic factor which affects the food security around the globe due to its negative impact on the plant development, and quality of plant products. Because of this, drought stress has gained an imperative appearance in the field of plant sciences in recent years. Read More

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A Visual Analytics Approach for Structural Differences among Graphs via Deep Learning.

IEEE Comput Graph Appl 2021 Jul 19;PP. Epub 2021 Jul 19.

Representing and analyzing structural differences among graphs help gain insight into the difference related patterns such as dynamic evolutions of graphs. Conventional solutions leverage representation learning techniques to encode structural information, but lack of an intuitive way of studying structural semantics of graphs. In this paper, we propose a representation-and-analysis scheme for structural differences among graphs. Read More

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Coking-resistant dry reforming of methane over Ni/γ-AlO catalysts by rationally steering metal-support interaction.

iScience 2021 Jul 17;24(7):102747. Epub 2021 Jun 17.

International Joint Laboratory of Catalytic Chemistry, Department of Chemistry, Research Center of Nano Science and Technology, College of Sciences, Shanghai University, 200444 Shanghai, China.

The coking issue is the main challenge for dry reforming of methane (DRM) over Ni-based catalysts. Herein, we excavate the reasons for the enhanced coking resistance of the bounded Ni over the free state Ni in Ni/γ-AlO catalysts for DRM. Rational metal-support interaction of the bounded Ni would facilitate desorption of CO, thus suppressing CO disproportionation and decreasing carbon deposition. Read More

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The Use of Remote Monitoring Technologies: A Review of Recent Regulatory Scientific Advices, Qualification Opinions, and Qualification Advices Issued by the European Medicines Agency.

Front Med (Lausanne) 2021 1;8:619513. Epub 2021 Jul 1.

Medicines Evaluation Board, Utrecht, Netherlands.

Recently, the use of novel remote monitoring technologies (RMTs) in trials has gained much interest. To facilitate regulatory learning, we evaluated qualification opinions (QOs) and advices (QAs) and scientific advices (SAs) of the Committee for Medicinal Products for Human Use (CHMP) to gain insight in the types of devices that are intended to be used in clinical trials for supporting/submitting application for obtaining marketing authorization (registration trials) and the main recommendations of the CHMP. QOs, QAs, and SAs of the CHMP that assessed RMTs between 2013 and 2019 were eligible for our study. Read More

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Towards Tailored Gut Microbiome-Based and Dietary Interventions for Promoting the Development and Maintenance of a Healthy Brain.

Front Pediatr 2021 1;9:705859. Epub 2021 Jul 1.

Microbial Ecology, Nutrition & Health Research Unit, Institute of Agrochemistry and Food Technology, National Research Council (IATA-CSIC), Valencia, Spain.

Mental health is determined by a complex interplay between the Neurological Exposome and the Human Genome. Multiple genetic and non-genetic (exposome) factors interact early in life, modulating the risk of developing the most common complex neurodevelopmental disorders (NDDs), with potential long-term consequences on health. To date, the understating of the precise etiology underpinning these neurological alterations, and their clinical management pose a challenge. Read More

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Role of RHOC in evaluating an adverse prognosis in patients with glioma and its potential prognostic value.

Mol Clin Oncol 2021 Sep 29;15(3):171. Epub 2021 Jun 29.

Department of Surgery of Spine and Spinal Cord, Henan Provincial People's Hospital, Henan International Joint Laboratory of Intelligentized Orthopedics Innovation and Transformation, Henan Key Laboratory for Intelligent Precision Orthopedics, People's Hospital of Zhengzhou University, People's Hospital of Henan University, Zhengzhou, Henan 450003, P.R. China.

In recent years, major discoveries have indicated that Ras homology family member C (RHOC) is involved in the occurrence and pathological progression of a number of malignant tumours; nevertheless, the role served by RHOC in glioma remains unclear. The present study aimed to gain further insight into the biological function and expression of RHOC in human glioma based on the Chinese Glioma Genome Atlas (CGGA). The current study analysed ~1,000 glioma samples from the CGGA. Read More

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September 2021