Tag: M.W=100-150

Kobayashi, Hiroko published the artcileSimultaneous quantitation of thioureas in rat plasma by high-performance liquid chromatography, Application of 1,1-Dimethylthiourea, the publication is Journal of Chromatography (1981), 207(2), 281-5, database is CAplus and MEDLINE.

A method is described for the isolation, identification, and determination of thioureas in rat plasma by high-performance liquid chromatog. (HPLC) without derivatization. Plasma in EtOH was centrifuged at 3000 rpm, the organic phase evaporated to dryness, the residue dissolved in CHCl₃, applied to silica gel column, the column washed with CHCl₃ and with 3% MeOH in CHCl₃ where 1,3-diethylthiourea [105-55-5], ethylenethiourea [96-45-7], 1,3-dimethylthiourea [534-13-4], and 1,1-dimethylthiourea [6972-05-0] were eluted. Thiourea [62-56-6], methylthiourea [598-52-7], and ethylthiourea [625-53-6] were eluted with 10% MeOH in CHCl₃. These fractions were concentrated and subjected to HPLC. For the simultaneous determination of these thioureas, 240 nm was selected as a reasonable wavelength to monitor the chromatograms.

Journal of Chromatography published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Application of 1,1-Dimethylthiourea.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Moosus, M. published the artcileQuantitative structure-activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors, COA of Formula: C3H8N2S, the publication is SAR and QSAR in Environmental Research (2011), 22(7-8), 757-774, database is CAplus and MEDLINE.

Quant. structure-activity relationship anal. and estimation of toxicol. effects at lower-mid trophic levels provide first aid means to understand the toxicity of chems. Daphnia magna serves as a good starting point for such toxicity studies and is also recognized for regulatory use in estimating the risk of chems. The ECOTOX database was queried and analyzed for available data and a homogeneous subset of 253 compounds for the endpoint LC50 48 h was established. A four-parameter quant. structure-activity relationship was derived (coefficient of determination, r² = 0.740) for half of the compounds and internally validated (leave-one-out cross-validated coefficient of determination, r²_cv = 0.714; leave-many-out coefficient of determination, r²_LMO = 0.738). External validation was carried out with the remaining half of the compounds (coefficient of determination for external validation, r²_ext = 0.634). Two of the descriptors in the model (log P, average bonding information content) capture the structural characteristics describing penetration through bio-membranes. Another two descriptors (energy of HOMO, weighted partial neg. surface area) capture the electronic structural characteristics describing the interaction between the chem. and its hypothetic target in the cell. The applicability domain was subsequently analyzed and discussed.

SAR and QSAR in Environmental Research published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, COA of Formula: C3H8N2S.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Mandel, Jeffrey B. published the artcileSynthesis and spectroscopic characterization of cobalt(III) and copper(II) complexes of hexadentate and tetradentate ligands containing pyridyl arms, Safety of Propane-1,3-diamine dihydrochloride, the publication is Inorganic Chemistry (1988), 27(17), 2990-6, database is CAplus.

[Co(edampda)]ClO₄ [H₂edampda = N,N‘-bis(2-pyridylmethyl)ethylenediamine-N,N‘-diacetic acid], [Co(tpa)(H₂O)Cl](ClO₄)₂ [tpa = tris(2-pyridylmethyl)amine], [Co(uns-penp)(H₂O)Cl](ClO₄)₂ [uns-penp = N,N-bis(2-pyridylmethyl)ethylenediamine], and [Cu(uns-Hpenp)Cl₂]ClO₄ were prepared and characterized. In addition, the previously reported [Co(tpen)](ClO₄)₃ [tpen = N,N,N‘,N‘-tetrakis(2-pyridylmethyl)ethylenediamine], [Co(tptn)](ClO₄)₃ [tptn = N,N,N‘,N‘-tetrakis(2-pyridylmethyl)-1,3-propanediamine], and ¦¤¦«¦¤-(-)₅₈₉-[Co(tppn)](ClO₄)₃ [tppn = N,N,N‘,N‘-tetrakis(2-pyridylmethyl)-1,2-propanediamine] were prepared and characterized by high-resolution ¹H NMR spectroscopy for the 1st time. Two-dimensional ¹H NMR spectroscopy was utilized to complete the pyridine H assignments in the 1-dimensional ¹H NMR spectra of the tpen and tptn complexes. The 300-MHz ¹H NMR spectra of all of these complexes show good resolution for all of the hydrogens. The AB patterns of the pyridyl hydrogens and ethylenediamine hydrogens are discussed and correlated to 1 another. The AB coupling constants of the pyridyl rings are ?16 and 20 Hz for the G (in the plane of the ethylenediamine ring) and R (out of the plane of the ethylenediamine ring) chelate rings, resp.; these results are consistent with the well-documented AB coupling constants of (amino polycarboxylato)cobalt complexes. All of the ¹H NMR spectra were interpreted completely, and the usefulness of using AB coupling constants to assign individual AB patterns to R, G, or E chelate rings in polypyridyl complexes is demonstrated. In addition, the partial resolution of [Co(tpen)](ClO₄)₃ is reported, and the visible spectra of all of the complexes are reported.

Inorganic Chemistry published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, Safety of Propane-1,3-diamine dihydrochloride.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Goldansaz, Seyed Ali published the artcilePredictive blood biomarkers of sheep pregnancy and litter size, SDS of cas: 63-68-3, the publication is Scientific Reports (2022), 12(1), 10307, database is CAplus and MEDLINE.

Early detection of sheep pregnancy and the prediction of how many lambs a pregnant ewe delivers affects sheep farmers in a number of ways, most notably with regard to feed management, lambing rate, and sheep/lamb health. The standard practice for direct detection of sheep pregnancy and litter size (PLS) is ultrasonog. However, this approach has a number of limitations. Indirect measurement of PLS using blood biomarkers could offer a simpler, faster and earlier route to PLS detection. Therefore, we undertook a large-scale metabolomics study to identify and validate predictive serum biomarkers of sheep PLS. We conducted a longitudinal experiment that analyzed 131 serum samples over five timepoints (from seven days pre-conception to 70 days post-conception) from six com. flocks in Alberta and Ontario, Canada. Using LC-MS/MS and NMR, we identified and quantified 107 metabolites in each sample. We also identified three panels of serum metabolite biomarkers that can predict ewe PLS as early as 50 days after breeding. These biomarkers were then validated in sep. flocks consisting of 243 animals yielding areas-under-the-receiver-operating-characteristic-curve (AU-ROC) of 0.81-0.93. The identified biomarkers could lead to the development of a simple, low-cost blood test to measure PLS at an early stage of pregnancy, which could help optimize reproductive management on sheep farms.

Scientific Reports published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C5H11NO2S, SDS of cas: 63-68-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Haglund, Aasa C. published the artcileHydrophobic and polar contributions to solute affinity for a highly crosslinked water-swollen (sephadex) gel, SDS of cas: 6972-05-0, the publication is Journal of Polymer Science, Polymer Letters Edition (1980), 18(4), 271-9, database is CAplus.

Adsorption affinity was studied on Sephadex gels, which are commonly used in gel chromatog. The studies support the hypothesis of a hydrophobic interaction in the adsorption of nonpolar and weakly polar aliphatic solutes, suggest that ¦Ð electrons in the solute promote affinity, suggest that a reduced affinity in hydroxyl derivatives of paraffins is caused by lowered hydrophobicity due to the polarity of the OH group, show that there are stringent demands on solute structure if mol. sieve behavior is to be manifest, and also show that, whereas the gel has an affinity for hydrocarbons, both aliphatic and aromatic, it does not prefer the latter; a higher aromatic affinity requires an addnl. condition. The studies included distribution coefficients, heat of adsorption, entropy of adsorption, and free energy of adsorption. The compounds studied included hydrocarbons, aldehydes, alcs., phenols, ketone, amides, urea derivatives, and thiourea derivatives

Journal of Polymer Science, Polymer Letters Edition published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, SDS of cas: 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Calixto-Rodriguez, M. published the artcileStructural, optical, and electrical properties of tin sulfide thin films grown by spray pyrolysis, Application In Synthesis of 6972-05-0, the publication is Thin Solid Films (2009), 517(7), 2497-2499, database is CAplus.

Sn sulfide (SnS) thin films have been prepared by spray pyrolysis (SP) technique using Sn chloride and N,N-dimethylthiourea as precursor compounds Thin films prepared at different temperatures have been characterized using several techniques. X-ray diffraction studies showed that substrate temperature (T _s) affects the crystalline structure of the deposited material as well as the optoelectronic properties. The calculated optical band gap (E_g) value for films deposited at T_s = 320-396¡ã was 1.70 eV (SnS). Addnl. phases of SnS₂ at 455¡ã and SnO₂ at 488¡ã were formed. The measured elec. resistivity value for SnS films was ?1 ¡Á 10⁴ ¦¸-cm.

Thin Solid Films published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Application In Synthesis of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Herrera-Marcos, Luis V. published the artcileHepatic galectin-3 is associated with lipid droplet area in non-alcoholic steatohepatitis in a new swine model, Category: catalysis-chemistry, the publication is Scientific Reports (2022), 12(1), 1024, database is CAplus and MEDLINE.

Non-alc. fatty liver disease (NAFLD) is currently a growing epidemic disease that can lead to cirrhosis and hepatic cancer when it evolves into non-alc. steatohepatitis (NASH), a gap not well understood. To characterize this disease, pigs, considered to be one of the most similar to human exptl. animal models, were used. To date, all swine-based settings have been carried out using rare predisposed breeds or long-term experiments Herein, we fully describe a new exptl. swine model for initial and reversible NASH using cross-bred animals fed on a high saturated fat, fructose, cholesterol, cholate, choline and methionine-deficient diet. To gain insight into the hepatic transcriptome that undergoes steatosis and steatohepatitis, we used RNA sequencing. This process significantly up-regulated 976 and down-regulated 209 genes mainly involved in cellular processes. Gene expression changes of 22 selected transcripts were verified by RT-qPCR. Lipid droplet area was pos. associated with CD68, GPNMB, LGALS3, SLC51B and SPP1, and neg. with SQLE expressions. When these genes were tested in a second experiment of NASH reversion, LGALS3, SLC51B and SPP1 significantly decreased their expression. However, only LGALS3 was associated with lipid droplet areas. Our results suggest a role for LGALS3 in the transition of NAFLD to NASH.

Scientific Reports published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C5H11NO2S, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wilkinson, Matthew R. published the artcileImages of chemical structures as molecular representations for deep learning, Name: 2-Methylbenzoic acid, the publication is Journal of Materials Research (2022), 37(14), 2293-2303, database is CAplus.

Implementing Artificial Intelligence for chem. applications provides a wealth of opportunity for materials discovery, healthcare and smart manufacturing For such applications to be successful, it is necessary to translate the properties of mols. into a digital format so they can be passed to the algorithms used for smart modeling. The literature has shown a wealth of different strategies for this task, yet there remains a host of limitations. To overcome these challenges, we present two-dimensional images of chem. structures as mol. representations. This methodol. was evaluated against other techniques in both classification and regression tasks. Images unlocked (1) superior augmentation strategies, (2) application of specialist network architectures and (3) transfer learning, all contributing to superior performance and without prior specialised knowledge on cheminformatics required. This work takes advantage of image feature maps which do not rely on chem. properties and so can represent multi-component systems without further property calculations

Journal of Materials Research published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C6H5NO, Name: 2-Methylbenzoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Cornea, Felicia published the artcileSynthesis and characterization of some new derivatives of (+)- and (-)- carvone, Category: catalysis-chemistry, the publication is Revistade Chimie (Bucharest, Romania) (1987), 38(7), 570-3, database is CAplus.

Carvone was treated with R¹ONH₂.HCl (R¹ = PhCH₂, methylbenzyl, CHPh₂, CPh₃, alkyl) and H₂NO(CH₂)_nONH₂.2HCl (n = 1, 2) to give oximes I and II. II (n = 1) was also prepared from carvone oxime and CH₂Cl₂.

Revistade Chimie (Bucharest, Romania) published new progress about 6084-58-8. 6084-58-8 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is O-Isobutylhydroxylamine hydrochloride, and the molecular formula is C4H12ClNO, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Kuznetsov, V. V. published the artcile6,6′-Bis(1,5-diazabicyclo[3.1.0]hexane), Application of Propane-1,3-diamine dihydrochloride, the publication is Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) (1999), 48(3), 617-619, database is CAplus.

The interaction of 1,3-diaminopropane with glyoxal and NaOCl in water at pH 9.5-10.5 afforded the previously unknown 6,6′-bis(1,5-diazabicyclo[3.1.0]hexane)(I). According to X-ray diffraction data, both bicyclic fragments of I adopt a boat conformation.

Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, Application of Propane-1,3-diamine dihydrochloride.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia