Lattice strain due to an atomic vacancy.

Abstract:

:Volumetric strain can be divided into two parts: strain due to bond distance change and strain due to vacancy sources and sinks. In this paper, efforts are focused on studying the atomic lattice strain due to a vacancy in an FCC metal lattice with molecular dynamics simulation (MDS). The result has been compared with that from a continuum mechanics method. It is shown that using a continuum mechanics approach yields constitutive results similar to the ones obtained based purely on molecular dynamics considerations.

journal_name

Int J Mol Sci

authors

Li S,Sellers MS,Basaran C,Schultz AJ,Kofke DA

doi

10.3390/ijms10062798

subject

Has Abstract

pub_date

2009-06-19 00:00:00

pages

2798-808

issue

6

issn

1422-0067

journal_volume

10

pub_type

杂志文章
  • Transcriptomic Response to Nitric Oxide Treatment in Larix olgensis Henry.

    abstract::Larix olgensis Henry is an important coniferous species found in plantation forests in northeastern China, but it is vulnerable to pathogens. Nitric oxide (NO) is an important molecule involved in plant resistance to pathogens. To study the regulatory role of NO at the transcriptional level, we characterized the trans...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms161226117

    authors: Hu X,Yang J,Li C

    更新日期:2015-12-02 00:00:00

  • Radioprotective Effects of Dermatan Sulfate in a Preclinical Model of Oral Mucositis-Targeting Inflammation, Hypoxia and Junction Proteins without Stimulating Proliferation.

    abstract::Oral mucositis is the most frequently occurring early side effect of head-and-neck cancer radiotherapy. Systemic dermatan sulfate (DS) treatment revealed a significant radioprotective potential in a preclinical model of oral mucositis. This study was initiated to elucidate the mechanistic effects of DS in the same mod...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms19061684

    authors: Gruber S,Arnold M,Cini N,Gernedl V,Hetzendorfer S,Kowald LM,Kuess P,Mayer J,Morava S,Pfaffinger S,Rohorzka A,Dörr W

    更新日期:2018-06-06 00:00:00

  • Intra-Genomic Internal Transcribed Spacer Region Sequence Heterogeneity and Molecular Diagnosis in Clinical Microbiology.

    abstract::Internal transcribed spacer region (ITS) sequencing is the most extensively used technology for accurate molecular identification of fungal pathogens in clinical microbiology laboratories. Intra-genomic ITS sequence heterogeneity, which makes fungal identification based on direct sequencing of PCR products difficult, ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms161025067

    authors: Zhao Y,Tsang CC,Xiao M,Cheng J,Xu Y,Lau SK,Woo PC

    更新日期:2015-10-22 00:00:00

  • Selective binding, self-assembly and nanopatterning of the Creutz-Taube ion on surfaces.

    abstract::The surface attachment properties of the Creutz-Taube ion, i.e., [(NH(3))(5)Ru(pyrazine)Ru(NH(3))(5)](5+), on both hydrophilic and hydrophobic types of surfaces were investigated using X-ray photoelectron spectroscopy (XPS). The results indicated that the Creutz-Taube ions only bound to hydrophilic surfaces, such as S...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms10020533

    authors: Wang Y,Lieberman M,Hang Q,Bernstein G

    更新日期:2009-02-01 00:00:00

  • Genetic and Hormonal Regulation of Chlorophyll Degradation during Maturation of Seeds with Green Embryos.

    abstract::The embryos of some angiosperms (usually referred to as chloroembryos) contain chlorophylls during the whole period of embryogenesis. Developing embryos have photochemically active chloroplasts and are able to produce assimilates, further converted in reserve biopolymers, whereas at the late steps of embryogenesis, se...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章,评审

    doi:10.3390/ijms18091993

    authors: Smolikova G,Dolgikh E,Vikhnina M,Frolov A,Medvedev S

    更新日期:2017-09-16 00:00:00

  • Periostin Links Skin Inflammation to Melanoma Progression in Humans and Mice.

    abstract::It is widely accepted that chronic inflammation initiates and promotes carcinogenesis and tumor progression in various cell types. However, this paradigm has not been comprehensively investigated in melanoma. To investigate the effects of chronic inflammation on the progression of melanoma, we established a murine inf...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms20010169

    authors: Ohno F,Nakahara T,Kido-Nakahara M,Ito T,Nunomura S,Izuhara K,Furue M

    更新日期:2019-01-04 00:00:00

  • Her2-Targeted Therapy Induces Autophagy in Esophageal Adenocarcinoma Cells.

    abstract::Esophageal adenocarcinoma (EAC) is a highly lethal cancer type with an overall poor survival rate. Twenty to thirty percent of EAC overexpress the human epidermal growth factor receptor 2 (Her2), a transmembrane receptor tyrosine kinase promoting cell growth and proliferation. Patients with Her2 overexpressing breast ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms19103069

    authors: Janser FA,Adams O,Bütler V,Schläfli AM,Dislich B,Seiler CA,Kröll D,Langer R,Tschan MP

    更新日期:2018-10-08 00:00:00

  • Silencing of the Ortholog of DEFECTIVE IN ANTHER DEHISCENCE 1 Gene in the Woody Perennial Jatropha curcas Alters Flower and Fruit Development.

    abstract::DEFECTIVE IN ANTHER DEHISCENCE 1 (DAD1), a phospholipase A1, utilizes galactolipids (18:3) to generate α-linolenic acid (ALA) in the initial step of jasmonic acid (JA) biosynthesis in Arabidopsis thaliana. In this study, we isolated the JcDAD1 gene, an ortholog of Arabidopsis DAD1 in Jatropha curcas, and found that it...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms21238923

    authors: Xu CJ,Zhao ML,Chen MS,Xu ZF

    更新日期:2020-11-24 00:00:00

  • Mitochondrial peroxiredoxin III is a potential target for cancer therapy.

    abstract::Mitochondria are involved either directly or indirectly in oncogenesis and the alteration of metabolism in cancer cells. Cancer cells contain large numbers of abnormal mitochondria and produce large amounts of reactive oxygen species (ROS). Oxidative stress is caused by an imbalance between the production of ROS and t...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章,评审

    doi:10.3390/ijms12107163

    authors: Song IS,Kim HK,Jeong SH,Lee SR,Kim N,Rhee BD,Ko KS,Han J

    更新日期:2011-01-01 00:00:00

  • Hiseq Base Molecular Characterization of Soil Microbial Community, Diversity Structure, and Predictive Functional Profiling in Continuous Cucumber Planted Soil Affected by Diverse Cropping Systems in an Intensive Greenhouse Region of Northern China.

    abstract::Cover crops are key determinants of the ecological stability and sustainability of continuous cropping soils. However, their agro-ecological role in differentially reshaping the microbiome structure and functioning under a degraded agroecosystem remains poorly investigated. Therefore, structural and metabolic changes ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms20112619

    authors: Ali A,Imran Ghani M,Li Y,Ding H,Meng H,Cheng Z

    更新日期:2019-05-28 00:00:00

  • Depression, GABA, and Age Correlate with Plasma Levels of Inflammatory Markers.

    abstract::Immunomodulation is increasingly being recognised as a part of mental diseases. Here, we examined whether levels of immunological protein markers changed with depression, age, or the inhibitory neurotransmitter gamma-aminobutyric acid (GABA). An analysis of plasma samples from patients with a major depressive episode ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms20246172

    authors: Bhandage AK,Cunningham JL,Jin Z,Shen Q,Bongiovanni S,Korol SV,Syk M,Kamali-Moghaddam M,Ekselius L,Birnir B

    更新日期:2019-12-06 00:00:00

  • Vitamin B3-Based Biologically Active Compounds as Inhibitors of Human Cholinesterases.

    abstract::We evaluated the potential of nine vitamin B3 scaffold-based derivatives as acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors, as a starting point for the development of novel drugs for treating disorders with cholinergic neurotransmission-linked pathology. As the results indicate, all compounds ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms21218088

    authors: Zandona A,Lihtar G,Maraković N,Miš K,Bušić V,Gašo-Sokač D,Pirkmajer S,Katalinić M

    更新日期:2020-10-29 00:00:00

  • Low Repair Capacity of DNA Double-Strand Breaks Induced by Laser-Driven Ultrashort Electron Beams in Cancer Cells.

    abstract::Laser-driven accelerators allow to generate ultrashort (from femto- to picoseconds) high peak dose-rate (up to tens of GGy/s) accelerated particle beams. However, the radiobiological effects of ultrashort pulsed irradiation are still poorly studied. The aim of this work was to compare the formation and elimination of ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms21249488

    authors: Babayan N,Vorobyeva N,Grigoryan B,Grekhova A,Pustovalova M,Rodneva S,Fedotov Y,Tsakanova G,Aroutiounian R,Osipov A

    更新日期:2020-12-14 00:00:00

  • Characterization of Starch Degradation Related Genes in Postharvest Kiwifruit.

    abstract::Starch is one of the most important storage carbohydrates in plants. Kiwifruit typically accumulate large amounts of starch during development. The fruit retain starch until commercial maturity, and its postharvest degradation is essential for consumer acceptance. The activity of genes related to starch degradation ha...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms17122112

    authors: Hu X,Kuang S,Zhang AD,Zhang WS,Chen MJ,Yin XR,Chen KS

    更新日期:2016-12-15 00:00:00

  • Growth Factors in the Carotid Body-An Update.

    abstract::The carotid body may undergo plasticity changes during development/ageing and in response to environmental (hypoxia and hyperoxia), metabolic, and inflammatory stimuli. The different cell types of the carotid body express a wide series of growth factors and corresponding receptors, which play a role in the modulation ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章,评审

    doi:10.3390/ijms21197267

    authors: Stocco E,Barbon S,Tortorella C,Macchi V,De Caro R,Porzionato A

    更新日期:2020-10-01 00:00:00

  • Hypoxia-Induced miR-210 Is Necessary for Vascular Regeneration upon Acute Limb Ischemia.

    abstract::Critical limb ischemia is the most serious form of peripheral artery disease, characterized by severe functional consequences, difficult clinical management and reduced life expectancy. The goal of this study was to investigate the miR-210 role in the neo-angiogenic response after acute limb ischemia. Complementary ap...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms21010129

    authors: Zaccagnini G,Maimone B,Fuschi P,Longo M,Da Silva D,Carrara M,Voellenkle C,Perani L,Esposito A,Gaetano C,Martelli F

    更新日期:2019-12-24 00:00:00

  • Effect of Embryo Vitrification on the Steroid Biosynthesis of Liver Tissue in Rabbit Offspring.

    abstract::Preimplantation embryo manipulations during standard assisted reproductive technologies (ART) have significant repercussions on offspring. However, few studies to date have investigated the potential long-term outcomes associated with the vitrification procedure. Here, we performed an experiment to unravel the particu...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms21228642

    authors: Marco-Jiménez F,Garcia-Dominguez X,Domínguez-Martínez M,Viudes-de-Castro MP,Diretto G,Peñaranda DS,Vicente JS

    更新日期:2020-11-16 00:00:00

  • Motor, visual and emotional deficits in mice after closed-head mild traumatic brain injury are alleviated by the novel CB2 inverse agonist SMM-189.

    abstract::We have developed a focal blast model of closed-head mild traumatic brain injury (TBI) in mice. As true for individuals that have experienced mild TBI, mice subjected to 50-60 psi blast show motor, visual and emotional deficits, diffuse axonal injury and microglial activation, but no overt neuron loss. Because microgl...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms16010758

    authors: Reiner A,Heldt SA,Presley CS,Guley NH,Elberger AJ,Deng Y,D'Surney L,Rogers JT,Ferrell J,Bu W,Del Mar N,Honig MG,Gurley SN,Moore BM 2nd

    更新日期:2014-12-31 00:00:00

  • AKIRIN1: A Potential New Reference Gene in Human Natural Killer Cells and Granulocytes in Sepsis.

    abstract::Timely and reliable distinction of sepsis from non-infectious systemic inflammatory response syndrome (SIRS) supports adequate antimicrobial therapy and saves lives but is clinically challenging. Blood transcriptional profiling promises to deliver insights into the pathomechanisms of SIRS and sepsis and to accelerate ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms20092290

    authors: Coulibaly A,Velásquez SY,Sticht C,Figueiredo AS,Himmelhan BS,Schulte J,Sturm T,Centner FS,Schöttler JJ,Thiel M,Lindner HA

    更新日期:2019-05-09 00:00:00

  • Impact of serum chemerin levels on liver functional reserves and platelet counts in patients with hepatocellular carcinoma.

    abstract::Obesity-related metabolic abnormalities, including adipokine imbalance and chronic inflammation, are involved in liver carcinogenesis. Chemerin, a novel adipokine, plays a critical role in adipogenesis, energy metabolism, and inflammation. We evaluated the impact of serum chemerin levels on liver functional reserves i...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms150711294

    authors: Imai K,Takai K,Hanai T,Shiraki M,Suzuki Y,Hayashi H,Naiki T,Nishigaki Y,Tomita E,Shimizu M,Moriwaki H

    更新日期:2014-06-25 00:00:00

  • Concentration of rutin model solutions from their mixtures with glucose using ultrafiltration.

    abstract::Separation of polyphenolic phytochemical compounds from their mixtures with sugars is necessary to produce an added-value sugar-reduced extract with high biological activity from fruit juice processing industry waste streams. The separation characteristics of a binary mixture of rutin and glucose using a Pellicon-2 re...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms11020672

    authors: Wei S,Hossain MM,Saleh ZS

    更新日期:2010-02-09 00:00:00

  • Genomics of Human Fibrotic Diseases: Disordered Wound Healing Response.

    abstract::Fibrotic disease, which is implicated in almost half of all deaths worldwide, is the result of an uncontrolled wound healing response to injury in which tissue is replaced by deposition of excess extracellular matrix, leading to fibrosis and loss of organ function. A plethora of genome-wide association studies, microa...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章,评审

    doi:10.3390/ijms21228590

    authors: Stone RC,Chen V,Burgess J,Pannu S,Tomic-Canic M

    更新日期:2020-11-14 00:00:00

  • p63 Is a Promising Marker in the Diagnosis of Unusual Skin Cancer.

    abstract::Skin cancer is the most common type of cancer worldwide. Ozone depletion and climate changes might cause a further increase in the incidence rate in the future. Although the early detection of skin cancer enables it to be treated successfully, some tumours can evolve and become more aggressive, especially in the case ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章,评审

    doi:10.3390/ijms20225781

    authors: Smirnov A,Anemona L,Novelli F,Piro CM,Annicchiarico-Petruzzelli M,Melino G,Candi E

    更新日期:2019-11-17 00:00:00

  • Intragenic Antimicrobial Peptide Hs02 Hampers the Proliferation of Single- and Dual-Species Biofilms of P. aeruginosa and S. aureus: A Promising Agent for Mitigation of Biofilm-Associated Infections.

    abstract::Pseudomonas aeruginosa and Staphylococcus aureus are two major pathogens involved in a large variety of infections. Their co-occurrence in the same site of infection has been frequently reported and is linked to enhanced virulence and difficulty of treatment. Herein, the antimicrobial and antibiofilm activities of an ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms20143604

    authors: Bessa LJ,Manickchand JR,Eaton P,Leite JRSA,Brand GD,Gameiro P

    更新日期:2019-07-23 00:00:00

  • Urobiome in Gender-Related Diversities of Bladder Cancer.

    abstract::Bladder cancer (BC) remains the most common malignancy of urinary tract. Sex-related differences in BC epidemiology, diagnosis, therapy, and outcomes have been reported. Throughout the recent years, extensive research has been devoted to genetic and molecular alterations in BC. Apart from the molecular background, ano...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章,评审

    doi:10.3390/ijms21124488

    authors: Bilski K,Dobruch J,Kozikowski M,Skrzypczyk MA,Oszczudłowski M,Ostrowski J

    更新日期:2020-06-24 00:00:00

  • Development-Related miRNA Expression and Target Regulation during Staggered In Vitro Plant Regeneration of Tuxpeño VS-535 Maize Cultivar.

    abstract::In vitro plant regeneration addresses basic questions of molecular reprogramming in the absence of embryonic positional cues. The process is highly dependent on the genotype and explant characteristics. However, the regulatory mechanisms operating during organ differentiation from in vitro cultures remain largely unkn...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms20092079

    authors: López-Ruiz BA,Juárez-González VT,Sandoval-Zapotitla E,Dinkova TD

    更新日期:2019-04-27 00:00:00

  • Overexpression of Maize ZmC1 and ZmR Transcription Factors in Wheat Regulates Anthocyanin Biosynthesis in a Tissue-Specific Manner.

    abstract::Maize ZmC1 and ZmR transcription factors belong to the MYB-type and bHLH families, respectively, and control anthocyanin biosynthesis. In this study, Agrobacterium-mediated transformation was used to generate transgenic wheat plants that overexpress ZmC1 and ZmR or both, with the objective of developing anthocyanin-en...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms20225806

    authors: Riaz B,Chen H,Wang J,Du L,Wang K,Ye X

    更新日期:2019-11-19 00:00:00

  • Structural features of caspase-activating complexes.

    abstract::Apoptosis, also called programmed cell death, is an orderly cellular suicide program that is critical for the development, immune regulation and homeostasis of a multi-cellular organism. Failure to control this process can lead to serious human diseases, including many types of cancer, neurodegenerative diseases, and ...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章,评审

    doi:10.3390/ijms13044807

    authors: Park HH

    更新日期:2012-01-01 00:00:00

  • Mechanisms of Diabetes-Induced Endothelial Cell Senescence: Role of Arginase 1.

    abstract::We have recently found that diabetes-induced premature senescence of retinal endothelial cells is accompanied by NOX2-NADPH oxidase-induced increases in the ureohydrolase enzyme arginase 1 (A1). Here, we used genetic strategies to determine the specific involvement of A1 in diabetes-induced endothelial cell senescence...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms19041215

    authors: Shosha E,Xu Z,Narayanan SP,Lemtalsi T,Fouda AY,Rojas M,Xing J,Fulton D,Caldwell RW,Caldwell RB

    更新日期:2018-04-17 00:00:00

  • Involvement of p38 Activation and Mitochondria in Death of Human Leukemia Cells Induced by an Agonistic Human Monoclonal Antibody Fab Specific to TRAIL Receptor 1.

    abstract::The tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) induces cancer cell death with minimal damage to normal cells; however, some cancer cells are resistant to TRAIL. TRAIL resistance may be overcome by agonistic antibodies to TRAIL receptors. In this study, we report the toxic effects of a novel recomb...

    journal_title:International journal of molecular sciences

    pub_type: 杂志文章

    doi:10.3390/ijms20081967

    authors: Lee YR,Hwang E,Jang YJ

    更新日期:2019-04-22 00:00:00