Abstract：
:The MP2 and DFT/B3LYP methods at 6-311++G(d,p) and aug-cc-pdz basis sets have been used to probe the origin of relative stability preference for eclipsed acetaldehyde over its bisected counterpart. A relative energy stability range of 1.02 to 1.20 kcal/mol, in favor of the eclipsed conformer, was found and discussed. An NBO study at these chemistry levels complemented these findings and assigned the eclipsed acetaldehyde preference mainly to the vicinal antiperiplanar hyperconjugative interactions. The tautomeric interconversion between the more stable eclipsed acetaldehyde and vinyl alcohol has been achieved through a four-membered ring transition state (TS). The obtained barrier heights and relative stabilities of eclipsed acetaldehyde and the two conformers of vinyl alchol at these model chemistries have been estimated and discussed.
journal_name
Int J Mol Scijournal_title
International journal of molecular sciencesauthors
Osman OI,Alyoubi AO,Elroby SA,Hilal RH,Aziz SGdoi
10.3390/ijms131115360subject
Has Abstractpub_date
2012-11-20 00:00:00pages
15360-72issue
11issn
1422-0067pii
ijms131115360journal_volume
13pub_type
杂志文章abstract：:Legume root nodules develop as a result of a symbiotic relationship between the plant and nitrogen-fixing rhizobia bacteria in soil. Auxin activity is detected in different cell types at different stages of nodule development; as well as an enhanced sensitivity to auxin inhibits, which could affect nodule development....
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms18122547
更新日期：2017-11-28 00:00:00
abstract：:Chlorogenic (CA) and rosmarinic (RA) acids are two natural bioactive hydroxycinnamic acids whose antioxidant properties can be modulated by the chelation of metal ions. In this work, the interactions of these two carboxylic phenols with calcium ions and the impact of such interactions on their antioxidant activity wer...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21144948
更新日期：2020-07-13 00:00:00
abstract：:Distal-less homeobox 5 (Dlx5) is a negative regulator of adipogenesis. Dlx5 expression is decreased by adipogenic stimuli, but the mechanisms of Dlx5 downregulation by adipogenic stimuli have not yet been determined. Here, we tested the impact of cAMP/PKA (protein kinase A) signaling induced by 3-isobutyl-1 methyl xan...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms19103161
更新日期：2018-10-14 00:00:00
abstract：:Response surface methodology (RSM) was employed to optimize the extracellular lipase production by Burkholderia sp. HL-10. Preliminary tests showed that olive oil, tryptone and Tween-80 exhibited significant effects on the lipase production. The optimum concentrations of these three components were determined using a ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms131114889
更新日期：2012-11-13 00:00:00
abstract：:Tissues in the body are hierarchically structured composite materials with tissue-specific properties. Urea self-assembles via hydrogen bonding interactions into crystalline supracolloidal assemblies that can be used to impart macroscopic pores to polymer-based tissue scaffolds. In this communication, we explain the s...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms160920511
更新日期：2015-08-28 00:00:00
abstract：:Detection and recovery of heavy metals from environmental sources is a major task in environmental protection and governance. Based on previous research into cell-based visual detection and biological adsorption, we have developed a novel system combining these two functions by the BioBrick technique. The gold-specifi...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms19123741
更新日期：2018-11-24 00:00:00
abstract：:Natural autoantibodies to the IGF1 receptor (IGF1R-aAb) have been described in relation to Graves' ophthalmopathy. Other physiological roles of natural IGF1R-aAb are not known. We hypothesized that IGF1R-aAb may be related to muscle development. Serum samples (n = 408) from young overweight subjects (n = 143) were col...
journal_title：International journal of molecular sciences
pub_type： 临床试验,杂志文章
doi：10.3390/ijms21020463
更新日期：2020-01-11 00:00:00
abstract：:Leaf senescence is the last period of leaf growth and a dynamic procedure associated with its death. The adaptability of the plants to changing environments occurs thanks to leaf senescence. Hence, transcriptional profiling is important to figure out the exact mechanisms of inducing leaf senescence in a particular cro...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms20071708
更新日期：2019-04-05 00:00:00
abstract：:Emodin (1,3,8-trihydroxy-6-methylanthraquinone) has been identified to have the potential to improve lung fibrosis and lung cancer. To avoid the liver and kidney toxicities and the fast metabolism of emodin, emodin-loaded polylactic acid microspheres (ED-PLA-MS) were prepared and their characteristics were studied. ED...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms15046241
更新日期：2014-04-11 00:00:00
abstract：:Calcium (Ca2+) plays an important role in regulating the differentiation and function of osteoclasts. Calcium oscillations (Ca oscillations) are well-known phenomena in receptor activator of nuclear factor kappa B ligand (RANKL)-induced osteoclastogenesis and bone resorption via calcineurin. Many modifiers are involve...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms22010180
更新日期：2020-12-26 00:00:00
abstract：:Non-alcoholic fatty liver disease (NAFLD) is the most common liver disorder worldwide. Several lines of evidence have indicated a pathogenic role of insulin resistance, and a strong association with type 2 diabetes (T2MD) and metabolic syndrome. Importantly, NAFLD appears to enhance the risk for T2MD, as well as worse...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms141122933
更新日期：2013-11-20 00:00:00
abstract：:Melanocytes in the skin play an indispensable role in the pigmentation of skin and its appendages. It is well known that the embryonic origin of melanocytes is neural crest cells. In adult skin, functional melanocytes are continuously repopulated by the differentiation of melanocyte stem cells (McSCs) residing in the ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms161226207
更新日期：2015-12-21 00:00:00
abstract：:Thioredoxin fold proteins (TFPs) form a family of diverse proteins involved in thiol/disulfide exchange in cells from all domains of life. Leptospirillum spp. are bioleaching bacteria naturally exposed to extreme conditions like acidic pH and high concentrations of metals that can contribute to the generation of react...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21051880
更新日期：2020-03-10 00:00:00
abstract：:A meshless numerical scheme combining the operator splitting method (OSM), the radial basis function (RBF) interpolation, and the method of fundamental solutions (MFS) is developed for solving transient nonlinear bioheat problems in two-dimensional (2D) skin tissues. In the numerical scheme, the nonlinearity caused by...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms16012001
更新日期：2015-01-16 00:00:00
abstract：:Body size is one of the most important attributes of a species, but the basic question of why and how each species reaches a different "right size" is still largely unknown. Herein, three phylogenetically closely related catfishes from Sisoridae, including one extraordinarily large-sized Bagarius yarrelli and two aver...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms20040944
更新日期：2019-02-21 00:00:00
abstract：:This study aimed at the characterization of the antioxidant power of polyphenol extracts (PE) obtained from the algae Cystoseira foeniculacea (CYS) (Phaeophyta) and from the halophyte Halocnemum strobilaceum (HAL), growing in the solar saltworks of western Sicily (Italy), and at the evaluation of their anti-microfouli...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms20040881
更新日期：2019-02-18 00:00:00
abstract：:Safflower (Carthamus tinctorius L.), an important traditional Chinese medicine, is cultured widely for its pharmacological effects, but little is known regarding the genes related to the metabolic regulation of the safflower's yellow pigment. To investigate genes related to safflor yellow biosynthesis, 454 pyrosequenc...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms161025657
更新日期：2015-10-26 00:00:00
abstract：:Protein-protein interactions are important for biochemical processes in biological systems. The 3D structure of the macromolecular complex resulting from the protein-protein association is a very useful source to understand its specific functions. This work focuses on computational study for protein-protein docking, w...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms9010065
更新日期：2008-01-01 00:00:00
abstract：:Parkinson's disease (PD) is one of the most common neurodegenerative disorders. The neuropathological features of PD are selective and progressive loss of dopaminergic neurons in the substantia nigra pars compacta, deficiencies in striatal dopamine levels, and the presence of intracellular Lewy bodies. Interactions am...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms21197182
更新日期：2020-09-29 00:00:00
abstract：:Amyotrophic lateral sclerosis (ALS) is a fatal, rapidly progressing neurodegenerative disease affecting motor neurons, and frontotemporal dementia (FTD) is a behavioural disorder resulting in early-onset dementia. Hexanucleotide (G4C2) repeat expansions in the gene encoding chromosome 9 open reading frame 72 (C9orf72)...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms19103137
更新日期：2018-10-12 00:00:00
abstract：:Idiopathic Pulmonary Arterial Hypertension (IPAH) is a deadly and disabling disease characterized by severe vascular remodeling of small pulmonary vessels by fibroblasts, myofibroblasts and vascular smooth muscle cell proliferation. Recent studies suggest that the Natriuretic Peptide Clearance Receptor (NPR-C) signali...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms20123063
更新日期：2019-06-22 00:00:00
abstract：:Intracellular protein traffic plays an important role in the regulation of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) chloride channels. Microtubule and actin-based motor proteins direct CFTR movement along trafficking pathways. As shown for other regulatory proteins such as adaptors, the involvement o...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms14059628
更新日期：2013-05-03 00:00:00
abstract：:Peroxisome proliferator-activated receptors (PPARs) are nuclear receptors that govern the expression of genes responsible for energy metabolism, cellular development, and differentiation. Their crucial biological roles dictate the significance of PPAR-targeting synthetic ligands in medical research and drug discovery....
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms20205055
更新日期：2019-10-11 00:00:00
abstract：:Frizzled receptors (FZDs) are a family of seven-span transmembrane receptors with hallmarks of G protein-coupled receptors (GPCRs) that serve as receptors for secreted Wingless-type (WNT) ligands in the WNT signaling pathway. Functionally, FZDs play crucial roles in regulating cell polarity, embryonic development, cel...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms19051543
更新日期：2018-05-22 00:00:00
abstract：:The presence of lysine (Lys) or arginine (Arg) and tryptophan (Trp) are important for the antimicrobial effects of cationic peptides. Therefore, we designed and synthesized a series of antimicrobial peptides with various numbers of Lys (or Arg) and Trp repeats [(KW and RW)(n)-NH(2), where n equals 2, 3, 4, or 5]. Anti...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms131115042
更新日期：2012-11-15 00:00:00
abstract：:A novel camptothecin analogue, (20S)-10,11-methylenedioxy-camptothecin (FL118), has been proven to show significant antitumor efficacy for a wide variety of solid tumors. However, the further development of FL118 is severely hindered due to its extremely poor water solubility and adverse side effects. Here, two series...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21228495
更新日期：2020-11-11 00:00:00
abstract：:Viral persistency in latently infected CD4+ T cells despite antiretroviral therapy (ART) represents a major drawback in the fight against HIV-1. Efforts to purge latent HIV-1 have been attempted using latency reversing agents (LRAs) that activate expression of the quiescent virus. However, initial trials have shown th...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms20184490
更新日期：2019-09-11 00:00:00
abstract：:Matrix metalloproteinases (MMPs) are zinc-containing endopeptidases with an extensive range of substrate specificities. Collectively, these enzymes are able to degrade various components of extracellular matrix (ECM) proteins. Based on their structure and substrate specificity, they can be categorized into five main s...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms17060868
更新日期：2016-06-02 00:00:00
abstract：:A major hallmark of diabetes is a constant high blood glucose level (hyperglycaemia), resulting in endothelial dysfunction. Transient or prolonged hyperglycemia can cause diabetic vasculopathy, a secondary systemic damage. C-Peptide is a product of cleavage of proinsulin by a serine protease that occurs within the pan...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms21020645
更新日期：2020-01-18 00:00:00
abstract：:Heterogeneous nuclear ribonucleoproteins (hnRNPs) are structurally and functionally distinct proteins containing specific domains and motifs that enable the proteins to bind certain nucleotide sequences, particularly those found in human telomeres. In human malignant cells (HMCs), hnRNP-A1-the most studied hnRNP-is an...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms20030745
更新日期：2019-02-10 00:00:00
