Abstract：
:A new aromaticity definition is advanced as the compactness formulation through the ratio between atoms-in-molecule and orbital molecular facets of the same chemical reactivity property around the pre- and post-bonding stabilization limit, respectively. Geometrical reactivity index of polarizability was assumed as providing the benchmark aromaticity scale, since due to its observable character; with this occasion new Hydrogenic polarizability quantum formula that recovers the exact value of 4.5 a(0) (3) for Hydrogen is provided, where a(0) is the Bohr radius; a polarizability based-aromaticity scale enables the introduction of five referential aromatic rules (Aroma 1 to 5 Rules). With the help of these aromatic rules, the aromaticity scales based on energetic reactivity indices of electronegativity and chemical hardness were computed and analyzed within the major semi-empirical and ab initio quantum chemical methods. Results show that chemical hardness based-aromaticity is in better agreement with polarizability based-aromaticity than the electronegativity-based aromaticity scale, while the most favorable computational environment appears to be the quantum semi-empirical for the first and quantum ab initio for the last of them, respectively.
journal_name
Int J Mol Scijournal_title
International journal of molecular sciencesauthors
Putz MVdoi
10.3390/ijms11041269subject
Has Abstractpub_date
2010-03-26 00:00:00pages
1269-310issue
4issn
1422-0067journal_volume
11pub_type
杂志文章abstract：:Antimicrobial peptides (AMPs) have emerged as a promising class of antimicrobial agents that could potentially address the global antibiotic resistance. Generating mirror-like peptides by minimizing dermaseptin family sequences is an effective strategy for designing AMPs. However, the previous research still had some ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms20061417
更新日期：2019-03-20 00:00:00
abstract：:The mitochondrial response to changes of cytosolic calcium concentration has a strong impact on neuronal cell metabolism and viability. We observed that Ca(2+) additions to isolated rat brain mitochondria induced in potassium ion containing media a mitochondrial membrane potential depolarization and an accompanying in...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms10031104
更新日期：2009-03-01 00:00:00
abstract：:(1) Background: A high incidence of intervening sequence (IVS)4+919 G>A mutation with later-onset cardiac phenotype have been reported in a majority of Taiwan Fabry cohorts. Some evidence indicated that conventional biomarkers failed to predict the long-term progression and therapeutic outcome; (2) Methods: In this st...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms19051480
更新日期：2018-05-16 00:00:00
abstract：:A unique feature of bioactive food ingredients is their broad antioxidant function. Antioxidants having a wide spectrum of chemical structure and activity beyond basic nutrition; display different health benefits by the prevention and progression of chronic diseases. Functional food components are capable of enhancing...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms18102050
更新日期：2017-09-25 00:00:00
abstract：:Tumor angiogenesis is one of the major hallmarks of tumor progression. Nobiletin is a natural flavonoid isolated from citrus peel that has anti-angiogenic activity. Steroid receptor coactivator (Src) is an intracellular tyrosine kinase so that focal adhesion kinase (FAK) binds to Src to play a role in tumor angiogenes...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms18050935
更新日期：2017-04-30 00:00:00
abstract：:Over 70 different genetic variants with a significant association with rheumatoid arthritis (RA) have been discovered. Anti-citrullination protein antibodies (ACPA)-positive RA variants are more well-defined than their ACPA-negative counterparts. The human leukocyte antigen, HLA-DRB1 locus remains the prime suspect in...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
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更新日期：2016-06-08 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms17091393
更新日期：2016-08-26 00:00:00
abstract：:A comprehensive proteome map of T-lymphoblastic leukemia cells and its alterations after daunorubicin, doxorubicin and mitoxantrone treatments was monitored and evaluated either by paired comparison with relevant untreated control and using multivariate classification of treated and untreated samples. With the main fo...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms131215536
更新日期：2012-11-22 00:00:00
abstract：:The only curative treatment for hepatic failure is liver transplantation. Unfortunately, this treatment has several major limitations, as for example donor organ shortage. A previous report demonstrated that transplantation of induced pluripotent stem cells without reprogramming factor c-Myc (3-genes iPSCs) attenuates...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms13033598
更新日期：2012-01-01 00:00:00
abstract：:The unbalanced assignment problem (UAP) is to optimally resolve the problem of assigning n jobs to m individuals (m < n), such that minimum cost or maximum profit obtained. It is a vitally important Non-deterministic Polynomial (NP) complete problem in operation management and applied mathematics, having numerous real...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms161025338
更新日期：2015-10-23 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms12117314
更新日期：2011-01-01 00:00:00
abstract：:Adenosine and its receptors exert a potent control on the cardiovascular system. This review aims to present emerging experimental evidence supporting the existence and implication in cardiovascular disorders of specific adenosinergic pharmacological profiles, conforming to the concept of "receptor reserve", also know...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms20235964
更新日期：2019-11-27 00:00:00
abstract：:Glucokinase (GCK) is the rate-limiting enzyme of liver glucose metabolism. Through protein-protein interactions, glucokinase regulatory protein (GCKR) post-transcriptionally regulates GCK function in the liver, and causes its nuclear localization. However the role of GCK in regulating GCKR localization is unknown. In ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms16047377
更新日期：2015-04-02 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms160922960
更新日期：2015-09-23 00:00:00
abstract：:From the stems of Liriodendron tulipifera, seventeen known compounds have been extracted, isolated and purified. By using spectroscopic analysis, the structures of these pure constituents were determined as three lignans, four steroids and ten benzenoids. Identified compounds were screened for antioxidant abilities u...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms14011698
更新日期：2013-01-15 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21093383
更新日期：2020-05-11 00:00:00
abstract：:Bull spermatozoa physiology may be modulated by melatonin. We washed ejaculated spermatozoa free of melatonin and incubated them (4 h, 38 °C) with 0-pM, 1-pM, 100-pM, 10-nM and 1-µM melatonin in TALP-HEPES (non-capacitating) and TALP-HEPES-heparin (capacitating). This range of concentrations encompassed the effects me...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21082701
更新日期：2020-04-13 00:00:00
abstract：:The effects of acidic polysaccharides purified from Gastrodia rhizome on blood pressure and serum lipid levels in spontaneously hypertensive rats (SHR) fed a high-fat diet were investigated. Acidic polysaccharides were purified from crude polysaccharides by DEAE-Sepharose CL-6B. Thirty-six male SHR were randomly divid...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms13010698
更新日期：2012-01-01 00:00:00
abstract：:Alpha-amylase, the major form of amylase with secondary carbohydrate binding sites, is a crucial enzyme throughout the growth period and life cycle of angiosperm. In rice, alpha-amylase isozymes are critical for the formation of the storage starch granule during seed maturation and motivate the stored starch to nouris...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
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更新日期：2019-01-21 00:00:00
abstract：:The development of resistance to previously effective treatments has been a challenge for health care providers and a fear for patients undergoing cancer therapy. This is an unfortunately frequent occurrence for patients undergoing targeted therapy for tumours harboring the activating V600E mutation of the BRAF gene. ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms18030585
更新日期：2017-03-08 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms19103264
更新日期：2018-10-20 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21218096
更新日期：2020-10-30 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21207672
更新日期：2020-10-16 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms21051691
更新日期：2020-03-01 00:00:00
abstract：:Hepatic ischemia/reperfusion (I/R) injury is a leading cause of organ dysfunction and failure in numerous pathological and surgical settings. At the core of this issue lies mitochondrial dysfunction. Hence, strategies that prime mitochondria towards damage resilience might prove applicable in a clinical setting. A pro...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21144896
更新日期：2020-07-11 00:00:00
abstract：:The bovine immune system is known for its unusual traits relating to immunoglobulin and antiviral responses. Peptidylarginine deiminases (PADs) are phylogenetically conserved enzymes that cause post-translational deimination, contributing to protein moonlighting in health and disease. PADs also regulate extracellular ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21082861
更新日期：2020-04-19 00:00:00
abstract：:Due to their large spectrum of bioactive properties, much attention has recently been drawn to phlorotannins-i.e., phenolic compounds characteristic from brown macroalgae. This study aimed to evaluate the antioxidant and anti-inflammatory properties of F. vesiculosus phlorotannin extracts and purified fractions. Overa...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21186897
更新日期：2020-09-20 00:00:00
abstract：:Bioelectrochemical systems (BES) are groups of bioelectrochemical technologies and platforms that could facilitate versatile environmental and biological applications. The performance of BES is mainly determined by the key process of electron transfer at the bacteria and electrode interface, which is known as extracel...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms18010090
更新日期：2017-01-04 00:00:00
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journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms20061514
更新日期：2019-03-26 00:00:00
abstract：:Intra-articular injection of platelet-rich plasma (PRP) has been established as a suitable treatment for knee osteoarthritis. Here, we present a double-blind randomized controlled clinical trial, conducted in a public Hospital of the Spanish National Health Care System, to evaluate the efficacy of injecting autologous...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,多中心研究,随机对照试验
doi：10.3390/ijms17071064
更新日期：2016-07-02 00:00:00
