Abstract：
:A combined theoretical and experimental study on the structure, infrared, UV-Vis and 1H NMR data of trans-2-(m-cyanostyryl)pyridine, trans-2-[3-methyl-(m-cyanostyryl)]pyridine and trans-4-(m-cyanostyryl)pyridine is presented. The synthesis was carried out with an efficient Knoevenagel condensation using green chemistry conditions. Theoretical geometry optimizations and their IR spectra were carried out using the Density Functional Theory (DFT) in both gas and solution phases. For theoretical UV-Vis and 1H NMR spectra, the Time-Dependent DFT (TD-DFT) and the Gauge-Including Atomic Orbital (GIAO) methods were used, respectively. The theoretical characterization matched the experimental measurements, showing a good correlation. The effect of cyano- and methyl- substituents, as well as of the N-atom position in the pyridine ring on the UV-Vis, IR and NMR spectra, was evaluated. The UV-Vis results showed no significant effect due to electron-withdrawing cyano- and electron-donating methyl-substituents. The N-atom position, however, caused a slight change in the maximum absorption wavelengths. The IR normal modes were assigned for the cyano- and methyl-groups. 1H NMR spectra showed the typical doublet signals due to protons in the trans position of a double bond. The theoretical characterization was visibly useful to assign accurately the signals in IR and 1H NMR spectra, as well as to identify the most probable conformation that could be present in the formation of the styrylpyridine-like compounds.
journal_name
Int J Mol Scijournal_title
International journal of molecular sciencesauthors
Castro ME,Percino MJ,Chapela VM,Ceron M,Soriano-Moro G,Lopez-Cruz J,Melendez FJdoi
10.3390/ijms14024005subject
Has Abstractpub_date
2013-02-18 00:00:00pages
4005-29issue
2issn
1422-0067pii
ijms14024005journal_volume
14pub_type
杂志文章abstract：:High-density polyethylene (PE) foils were modified by an Ar(+) plasma discharge and subsequent grafting with biomolecules, namely glycine (Gly), polyethylene glycol (PEG), bovine serum albumin (BSA), colloidal carbon particles (C) or BSA and C (BSA + C). As revealed by atomic force microscopy (AFM), goniometry and Rut...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms10104352
更新日期：2009-11-20 00:00:00
abstract：:Glioblastoma (GBM) is considered one of the most malignant, genetically heterogeneous, and therapy-resistant solid tumor. Therapeutic options are limited in GBM and involve surgical resection followed by chemotherapy and/or radiotherapy. Adjuvant therapies, including antiangiogenic treatments (AATs) targeting the VEGF...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms18122732
更新日期：2017-12-16 00:00:00
abstract：:To examine the effect of melatonin given to rats simultaneously with fructose on initial and fully developed metabolic syndrome, male Wistar rats had free access to chow and 5% or 10% fructose drinking solution for 8 weeks. As compared to controls, systolic blood pressure augmented significantly under both treatments ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms14022502
更新日期：2013-01-25 00:00:00
abstract：:Along with cancer, cardiovascular and cerebrovascular diseases remain by far the most common causes of death. Heart attacks and strokes are diseases in which platelets play a role, through activation on ruptured plaques and subsequent thrombus formation. Most platelet agonists activate platelets via G protein-coupled ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms21155345
更新日期：2020-07-28 00:00:00
abstract：:The endo-β-1,4-glucanase gene celE from the anaerobic fungus Orpinomyces PC-2 was placed under the control of an alcohol oxidase promoter (AOX1) in the plasmid pPIC9K, and integrated into the genome of a methylotrophic yeast P. pastoris GS115 by electroporation. The strain with highest endo-β-1,4-glucanase activity wa...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms12053366
更新日期：2011-01-01 00:00:00
abstract：:The development of in situ major histocompatibility complex (MHC) tetramer (IST) staining to detect antigen (Ag)-specific T cells in tissues has radically revolutionized our knowledge of the local cellular immune response to viral and bacterial infections, cancers, and autoimmunity. IST combined with immunohistochemis...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms20205165
更新日期：2019-10-18 00:00:00
abstract：:Following previous studies devoted to trans-Pt(3-af)2Cl2, in this paper, the molecular structure and intermolecular interactions of the title complex are compared with other cisplatin analogues of which the crystal structures are presented in the Cambridge Structural Database (CSD). Molecular Hirshfeld surface analysi...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21062116
更新日期：2020-03-19 00:00:00
abstract：:Prostate cancer is widely observed to be biologically heterogeneous. Its heterogeneity is manifested histologically as multifocal prostate cancer, which is observed more frequently than unifocal prostate cancer. The clinical and prognostic significance of either focal cancer type is not fully established. To investiga...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms140611816
更新日期：2013-06-03 00:00:00
abstract：:Non-coding RNAs are dominant in the genomic output of the higher organisms being not simply occasional transcripts with idiosyncratic functions, but constituting an extensive regulatory network. Among all the species of non-coding RNAs, small non-coding RNAs (miRNAs, siRNAs and piRNAs) have been shown to be in the cor...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms130810268
更新日期：2012-01-01 00:00:00
abstract：:Brassinosteroids (BRs) are a class of phytohormones, which regulate various processes during plant life cycle. Intensive studies conducted with genetic, physiological and molecular approaches allowed identification of various components participating in the BR signaling-from the ligand perception, through cytoplasmic ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms19092675
更新日期：2018-09-09 00:00:00
abstract：:Activated carbon honeycomb-monoliths with different textural properties were prepared by chemical activation of African palm shells with H(3)PO(4), ZnCl(2) and CaCl(2) aqueous solutions of various concentrations. The adsorbents obtained were characterized by N(2) adsorption at 77 K, and their carbon dioxide adsorption...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms13078388
更新日期：2012-01-01 00:00:00
abstract：:The life of any living organism can be defined as a hurdle due to different kind of stresses. As with all living organisms, plants are exposed to various abiotic stresses, such as drought, salinity, extreme temperatures and chemical toxicity. These primary stresses are often interconnected, and lead to the overproduct...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms13044458
更新日期：2012-01-01 00:00:00
abstract：:The strong association with the Major Histocompatibility Complex (MHC) class I genes represents a shared trait for a group of autoimmune/autoinflammatory disorders having in common immunopathogenetic basis as well as clinical features. Accordingly, the main risk factors for Ankylosing Spondylitis (AS), prototype of th...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms21249608
更新日期：2020-12-17 00:00:00
abstract：:The SGNH family esterases are highly effective biocatalysts due to their strong catalytic efficiencies, great stabilities, relatively small sizes, and ease of immobilization. Here, a novel SGNH family esterase (LaSGNH1) from Lactobacillus acidophilus NCFM, which has homologues in many Lactobacillus species, was identi...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21010091
更新日期：2019-12-21 00:00:00
abstract：:Hypoxia, a common factor ruling the microenvironment composition, leads to tumor progression. In this hypoxic context, cytokines and cells cooperate to favor cancer development and metastasis. Tumor hypoxia is heterogeneously distributed. Oxygen gradients depend on the vicinity, functionality of blood vessels, and oxy...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms21249492
更新日期：2020-12-14 00:00:00
abstract：:Biologic scaffolds composed of extracellular matrix components have been proposed to repair and reconstruct a variety of tissues in clinical and pre-clinical studies. Injectable gels can fill and conform any three-dimensional shape and can be delivered to sites of interest by minimally invasive techniques. In this stu...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms21228608
更新日期：2020-11-15 00:00:00
abstract：:Breast (BCa) and gynecological (GCa) cancers constitute a group of female neoplasms that has a worldwide significant contribution to cancer morbidity and mortality. Evidence suggests that polymorphisms influencing miRNA function can provide useful information towards predicting the risk of female neoplasms. Inconsiste...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,meta分析
doi：10.3390/ijms20205088
更新日期：2019-10-14 00:00:00
abstract：:Nicotine addiction is a severe public health problem. The aim of this study was to investigate the alterations in key neurotransmissions after 60 days of withdrawal from seven weeks of intermittent cigarette smoke, e-cigarette vapours, or an e-cigarette vehicle. In the nicotine withdrawal groups, increased depressive ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms22020599
更新日期：2021-01-09 00:00:00
abstract：:Saturated aqueous solutions of various common salts were examined for their effect on aqueous aldol reactions catalysted by a highly active C(2)-symmetric diprolinamide organocatalyst developed in our laboratory. With respect to the aldol reaction between cyclohexanone and 4-nitrobenzaldehyde, deionised water was alwa...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms12129083
更新日期：2011-01-01 00:00:00
abstract：:High-density genetic linkage maps of crop species are particularly useful in detecting qualitative and quantitative trait loci for important agronomic traits and in improving the power of classical approaches to identify candidate genes. The aim of this study was to develop a high-density genetic linkage map in a duru...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms18061329
更新日期：2017-06-21 00:00:00
abstract：:Phenolics, which are secondary metabolites of plants, exhibit remarkable bioactivities. In this contribution, we have focused on their protective effect against chronic diseases rather than their antioxidant activities, which have been widely discussed in the literature. A large body of epidemiological studies has pro...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms19061573
更新日期：2018-05-25 00:00:00
abstract：:T cells are essential mediators of the adaptive immune system, which constantly patrol the body in search for invading pathogens. During an infection, T cells that recognise the pathogen are recruited, expand and differentiate into subtypes tailored to the infection. In addition, they differentiate into subsets requir...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms21082674
更新日期：2020-04-11 00:00:00
abstract：:Tryptanthrin, a kind of indole quinazoline alkaloid, has been shown to exhibit anti-microbial, anti-inflammation and anti-tumor effects both in vivo and in vitro. However, its biological activity on human chronic myeloid leukemia cell line K562 is not fully understood. In the present study, we investigated the prolife...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms12063831
更新日期：2011-01-01 00:00:00
abstract：:A new approach for encoding DNA sequences as input for DNA sequence analysis is proposed using the error correction coding theory of communication engineering. The encoder was designed as a convolutional code model whose generator matrix is designed based on the degeneracy of codons, with a codon treated in the model ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms14048393
更新日期：2013-04-16 00:00:00
abstract：:Innate lymphoid cells (ILC) are important players of early immune defenses in situations like lymphoid organogenesis or in case of immune response to inflammation, infection and cancer. Th1 and Th2 antagonism is crucial for the regulation of immune responses, however mechanisms are still unclear for ILC functions. ILC...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms20215493
更新日期：2019-11-04 00:00:00
abstract：:The physic nut shrub, Jatropha curcas (Euphorbiaceae), has been considered as a "miracle tree", particularly as a source of alternate fuel. Various extracts of the plant have been reported to have insecticidal/acaricidal or molluscicidal/anthelminthic activities on vectors of medical or veterinary interest or on agric...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms131216157
更新日期：2012-11-30 00:00:00
abstract：:The particle sizes of pharmaceutical substances are important for their bioavailability. Bioavailability can be improved by reducing the particle size of the drug. In this study, artemisinin was micronized by the rapid expansion of supercritical solutions (RESS). The particle size of the unprocessed white needle-like ...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms13045060
更新日期：2012-01-01 00:00:00
abstract：:There is a complex collection of neuroendocrine function during the postpartum period. Prolactin (PRL) released by suckling stimulus and its PRL receptors (PRL-R) in the central nervous system (CNS) are involved in hyporesponsiveness of the hypothalamic-pituitary-adrenal (HPA) axis in lactating mammals including roden...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms18071370
更新日期：2017-06-27 00:00:00
abstract：:Matrix Gla Protein (MGP), a small Gla vitamin K-dependent protein, is the most powerful natural occurring inhibitor of calcification in the human body. To become biologically active, MGP must undergo vitamin K-dependent carboxylation and phosphorylation. Vitamin K deficiency leads to the inactive uncarboxylated, depho...
journal_title：International journal of molecular sciences
pub_type： 杂志文章,评审
doi：10.3390/ijms20030628
更新日期：2019-02-01 00:00:00
abstract：:Invasive species represent an increasing threat to native ecosystems, harming indigenous taxa through predation, habitat modification, cross-species hybridization and alteration of ecosystem processes. Additionally, high economic costs are associated with environmental damage, restoration and control measures. The Bur...
journal_title：International journal of molecular sciences
pub_type： 杂志文章
doi：10.3390/ijms14034793
更新日期：2013-02-28 00:00:00
