Supramolecular assembly of fluorescent phasmidic diacetylene and its photopolymerizationElectronic Supplementary Information (ESI) available: synthetic details, polarized optical micrographs, characterization of XRD, XRD after polymerization, IR spectra, and absorption change during photopolymerization. See http://www.rsc.org/suppdata/cc/b3/b306015b/

2003 ◽  
pp. 2306 ◽  
Author(s):  
Bong Gi Kim ◽  
Sehoon Kim ◽  
Jangwon Seo ◽  
Nam-Keun Oh ◽  
Wang-Cheol Zin ◽  
...  
Keyword(s):  
Ir Spectra ◽  
Supramolecular Assembly ◽  
Supplementary Information ◽  
Absorption Change ◽  
Optical Micrographs

scholarly journals New Insights into the Crystal Chemistry of Elpidite, Na2Zr[Si6O15]·3H2O and (Na1+YCax□1−X−Y)Σ=2Zr[Si6O15]·(3−X)H2O, and Ab Initio Modeling of IR Spectra

Materials ◽  
2021 ◽  
Vol 14 (9) ◽  
pp. 2160
Author(s):  
Alexander Bogdanov ◽  
Ekaterina Kaneva ◽  
Roman Shendrik
Keyword(s):  
Ir Spectra ◽  
Structural Models ◽  
Chemical Characterization ◽  
Chemical Compositions ◽  
X Ray Diffraction ◽  
Special Group ◽  
X Ray ◽  
Influence Of Water ◽  
Radioactive Species

Elpidite belongs to a special group of microporous zirconosilicates, which are of great interest due to their capability to uptake various molecules and ions, e.g., some radioactive species, in their structural voids. The results of a combined electron probe microanalysis and single-crystal X-ray diffraction study of the crystals of elpidite from Burpala (Russia) and Khan-Bogdo (Mongolia) deposits are reported. Some differences in the chemical compositions are observed and substitution at several structural positions within the structure of the compounds are noted. Based on the obtained results, a detailed crystal–chemical characterization of the elpidites under study was carried out. Three different structure models of elpidite were simulated: Na2ZrSi6O15·3H2O (related to the structure of Russian elpidite), partly Ca-replaced Na1.5Ca0.25ZrSi6O15·2.75H2O (close to elpidite from Mongolia), and a hypothetical CaZrSi6O15·2H2O. The vibration spectra of the models were obtained and compared with the experimental one, taken from the literature. The strong influence of water molecule vibrations on the shape of IR spectra of studied structural models of elpidite is discussed in the paper.

scholarly journals CSMD: a computational subtraction-based microbiome discovery pipeline for species-level characterization of clinical metagenomic samples

2019 ◽  
Author(s):  
Yu Liu ◽  
Paul W Bible ◽  
Bin Zou ◽  
Qiaoxing Liang ◽  
Cong Dong ◽  
...  
Keyword(s):  
Species Level ◽  
Supplementary Information ◽  
Clinical Samples ◽  
Plasma Dna ◽  
Bioinformatics Pipeline ◽  
Microbial Identification ◽  
Reference Databases ◽  
Microbial Dna ◽  
Higher Sensitivity

Abstract Motivation Microbiome analyses of clinical samples with low microbial biomass are challenging because of the very small quantities of microbial DNA relative to the human host, ubiquitous contaminating DNA in sequencing experiments and the large and rapidly growing microbial reference databases. Results We present computational subtraction-based microbiome discovery (CSMD), a bioinformatics pipeline specifically developed to generate accurate species-level microbiome profiles for clinical samples with low microbial loads. CSMD applies strategies for the maximal elimination of host sequences with minimal loss of microbial signal and effectively detects microorganisms present in the sample with minimal false positives using a stepwise convergent solution. CSMD was benchmarked in a comparative evaluation with other classic tools on previously published well-characterized datasets. It showed higher sensitivity and specificity in host sequence removal and higher specificity in microbial identification, which led to more accurate abundance estimation. All these features are integrated into a free and easy-to-use tool. Additionally, CSMD applied to cell-free plasma DNA showed that microbial diversity within these samples is substantially broader than previously believed. Availability and implementation CSMD is freely available at https://github.com/liuyu8721/csmd. Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals Synthesis and Characterization of Some Novel Oxazine, Thiazine and Pyrazol Derivatives

2016 ◽  
Vol 13 (2) ◽  
pp. 244-252
Author(s):  
Baghdad Science Journal
Keyword(s):  
Acetic Acid ◽  
Ir Spectra ◽  
Glacial Acetic Acid ◽  
Basic Medium ◽  
Synthesis And Characterization ◽  
Pyrazole Derivatives ◽  
Phenyl Hydrazine ◽  
H Nmr ◽  
Ft Ir

In this paper, some chalcone derivatives (C1, C2) were synthesized based on the reaction of equal amount of substituted acetophenone and substituted banzaldehyde in basic medium. Oxazine and thiazine derivatives were prepared from the reaction of chalcones (C1-C2) with urea and thiourea respectively in a basic medium. Pyrazole derivatives were prepared based on the reaction of chalcones with hydrazine mono hydrate or phenyl hydrazine in the presence of glacial acetic acid as a catalyst. The new synthesized compounds were identified using various physical techniques like1 H-NMR and FT-IR spectra.

scholarly journals SYNTHESIS AND CHARACTERIZATION OF Cu (II) COMPLEXS WITH 1,4,8-TRIS(2-HIDROXYMETHIL)-11-METHYL-1,4,8,11-TETRAAZACYCLOTETRADECANE

2010 ◽  
Vol 3 (2) ◽  
pp. 70-73 ◽  
Author(s):  
Sentot Budi Rahardjo
Keyword(s):  
Ir Spectra ◽  
Magnetic Moment ◽  
Synthesis And Characterization ◽  
Chemical Formula ◽  
Visible Spectra ◽  
Cu Bonding

Cu (II) complexs with 1,4,8-tris(2-hidroxymethyl)-11-methyl-1,4,8,11-tetraazacyclotetradecane (L) have been synthesized with chemical formula of [CuL](ClO4) (experimental Cu = 32.7 %, H = 6.4%, theoritical Cu = 32.6 %, H = 6.4 %). Its magnetic moment of 1.90 BM indicated that the complexs is paramagnetic and there are no Cu-Cu bonding. This complexs is stable with the value of log k [CuL]2+ = 17.3(2). Visible spectra of [CuL]2+ showed that single wide peak at λmax of 628 nm (ε = 164 dm3.mol-1.cm-1) and indicated of E9 - T29 transition. The IR spectra and the conductancy data indicated that the ClO4 was not coordinated to Cu.   Keywords: tembaga (II), senyawa kompleks, paramagnetik

Synthesis and Characterization of Diarylthiourea Derivatives of Tungsten Carbonyl

2004 ◽  
Vol 59 (5) ◽  
pp. 554-558 ◽  
Author(s):  
Amar Srivastava ◽  
A.K. Shrimal ◽  
Amar Nath
Keyword(s):  
Ir Spectra ◽  
Ultra Violet ◽  
Mixed Ligand ◽  
Force Constants ◽  
Synthesis And Characterization ◽  
Carbonyl Derivatives ◽  
Tungsten Carbonyl ◽  
Derivatives Of

Abstract Reactions of five sym-diarylthioureas (L), viz,, sym-diphenylthiourea (dptu), sym-di-o-tolylthiourea (dottu), sym-di-p-tolylthiourea (dpttu), sym-di-o-anisylthiourea (doatu) and sym-di-α- naphthylthiourea (dαntu) with W(CO)6 have been performed both by reflux and ultra-violet irradiation methods in which only monosubstituted products [(L)W(CO)5] are obtained. Several mixed ligand tungsten carbonyl derivatives, viz., [(o-phen or 2,2’-bipy)(L)W(CO)3] and [(Ph3P or Ph3As)(L)W(CO)4] have also been synthesized. Halogenation of [(L)W(CO)5] yielded heptacoordinated [(L)W(CO)4X2] (X = Br or I). The complexes have been characterized by microanalytical data, conductivity and IR measurements. The C-O stretching force constants and CO-CO stretch-stretch interaction constants of [(L)W(CO)5] derivatives have also been evaluated from the IR spectra.

Sign in / Sign up

Export Citation Format

Share Document