Tag: M.W=300-350

Tan, Sang Loon published the artcileA 1:1:1 co-crystal solvate comprising 2,2¡ä-dithiodibenzoic acid, 2-chlorobenzoic acid and N,N-dimethylformamide: crystal structure, Hirshfeld surface analysis and computational study, Name: 2,2′-Dithiodibenzoic acid, the publication is Acta Crystallographica, Section E: Crystallographic Communications (2019), 75(4), 475-481, database is CAplus and MEDLINE.

The asym. unit of the three-component title compound, 2,2¡ä-dithiodibenzoic acid-2-chlorobenzoic acid-N,N-dimethylformamide (1/1/1), C₁₄H₁₀O₄S₂¡¤C₇H₅ClO₂¡¤C₃H₇NO, contains a mol. each of 2,2¡ä-dithiodibenzoic acid (DTBA), 2-chlorobenzoic acid (2CBA) and DMF (DMF). The DTBA mol. is twisted and each carboxylic group is slightly twisted from the benzene ring to which it is connected. A small twist is evident in the mol. of 2CBA. In the crystal, the three mols. are connected by hydrogen bonds with the two carboxylic acid residues derived from DTBA and 2CBA forming a non-sym. eight-membered {¡¤¡¤¡¤HOCO}₂ synthon, and the second carboxylic acid of DTBA linked to the DMF mol. via a seven-membered {¡¤¡¤¡¤HOCO¡¤¡¤¡¤HCO} heterosynthon. The three-mol. aggregates are connected into a supramol. chain along the a axis. Supramol. layers in the ab plane are formed as the chains are linked via DMF-C-H¡¤¡¤¡¤S(DTBA) contacts, and these inter-digitate along the c-axis direction without specific points of contact between them. A Hirshfeld surface anal. points to addnl. but, weak contacts to stabilize the three-dimensional architecture: DTBA-C=O¡¤¡¤¡¤H(phenyl-DTBA), 2CBA-Cl¡¤¡¤¡¤H(phenyl-DTBA), as well as a ¦Ð-¦Ð contact between the delocalized eight-membered {¡¤¡¤¡¤HOC=O}₂ carboxylic dimer and the Ph ring of 2CBA. The latter was confirmed by electrostatic potential (ESP) mapping.

Acta Crystallographica, Section E: Crystallographic Communications published new progress about 119-80-2. 119-80-2 belongs to catalysis-chemistry, auxiliary class sulfides,Carboxylic acid,Benzene, name is 2,2′-Dithiodibenzoic acid, and the molecular formula is C10H16Br3N, Name: 2,2′-Dithiodibenzoic acid.

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

Eriksson, Ulrika published the artcileExamination of aryl hydrocarbon receptor (AhR), estrogenic and anti-androgenic activities, and levels of polyaromatic compounds (PACs) in tire granulates using in vitro bioassays and chemical analysis, Recommanded Product: Coronene, the publication is Chemosphere (2022), 134362, database is CAplus and MEDLINE.

Tire granulates recovered from end-of-life tires contain a complex mixture of chems., amongst them polyaromatic compounds (PACs), of which many are recognized to be toxic and persistent in the environment. Only a few of these PACs are regularly monitored. In this study a combined approach of chem. anal. and a battery of CALUX in vitro bioassays was used to determine PAC concentrations and estrogenic, (anti)-androgenic and aryl hydrocarbon receptor (AhR) activities in tire granulates. Tire granulates from a recycling company was analyzed for PAHs, alkyl-PAHs, oxy-PAHs and heterocyclic PACs (NSO-PACs), in total 85 PACs. The concentrations of PACs were between 42 and 144 mg/kg, with major contribution from PAHs (74-88%) followed by alkyl-PAHs (6.6-20%) and NSO-PACs (1.8-7.0%). The sum of eight priority PAHs were between 2.3 and 8.6 mg/kg, contributing with 4.7-8.2% of ¡ÆPACs. Bioassay anal. showed presence of AhR agonists, estrogen receptor (ER¦Á) agonists, and androgen receptor (AR) antagonists in the tire granulate samples. Only 0.8-2.4% of AhR-mediated activities could be explained by the chem. anal. Benzo[k+j]fluoranthenes, benzo[b]fluoranthene, indeno[1,2,3-cd]pyrene, 2-methylchrysene, and 3-methylchrysene were the major contributors to the AhR-mediated activities. The high contribution (98-99%) of unknown bioactive compounds to the bioassay effects in this study raises concerns and urges for further investigations of toxicants identification and source apportionment.

Chemosphere published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Recommanded Product: Coronene.

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

Rol, Alvaro published the artcileStructure-based design of a Cortistatin analogue with immunomodulatory activity in models of inflammatory bowel disease, SDS of cas: 71989-31-6, the publication is Nature Communications (2021), 12(1), 1869, database is CAplus and MEDLINE.

Ulcerative colitis and Crohn¡äs disease are forms of inflammatory bowel disease whose incidence and prevalence are increasing worldwide. These diseases lead to chronic inflammation of the gastrointestinal tract as a result of an abnormal response of the immune system. Recent studies positioned Cortistatin, which shows low stability in plasma, as a candidate for IBD treatment. Here, using NMR structural information, we design five Cortistatin analogs adopting selected native Cortistatin conformations in solution One of them, A5, preserves the anti-inflammatory and immunomodulatory activities of Cortistatin in vitro and in mouse models of the disease. Addnl., A5 displays an increased half-life in serum and a unique receptor binding profile, thereby overcoming the limitations of the native Cortistatin as a therapeutic agent. This study provides an efficient approach to the rational design of Cortistatin analogs and opens up new possibilities for the treatment of patients that fail to respond to other therapies.

Nature Communications published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C20H19NO4, SDS of cas: 71989-31-6.

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

Cook, A. Gilbert published the artcileThe blue bottle experiment revisited. How Blue? How Sweet?, Computed Properties of 10510-54-0, the publication is Journal of Chemical Education (1994), 71(2), 160-1, database is CAplus.

The “Blue Bottle” experiment was first popularized by Campbell. The reaction consists of a flask about half full of a colorless liquid that, when shaken, turns blue. When left to stand the liquid turns colorless again. The cyclic process – being shaken, turning blue, being left to stand, and turning colorless – can be repeated many times. By making a series of guided observations with this simple but colorful system, the student can determine a rate law and a plausible mechanism for the reaction without ever knowing the contents of the flask. The activation energy of the reaction can also be measured by making observations at various temperatures This popular experiment has been carried out by general chem. students at Valparaiso University since 1963 with great success.

Journal of Chemical Education published new progress about 10510-54-0. 10510-54-0 belongs to catalysis-chemistry, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Inhibitor,Inhibitor, name is 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, and the molecular formula is C18H15N3O3, Computed Properties of 10510-54-0.

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

Giese, Claudia-Corina published the artcileExperimental and Theoretical Constraints on Amino Acid Formation from PAHs in Asteroidal Settings, Safety of Coronene, the publication is ACS Earth and Space Chemistry (2022), 6(3), 468-481, database is CAplus and MEDLINE.

Amino acids and polycyclic aromatic hydrocarbons (PAHs) belong to the range of organic compounds detected in meteorites. In this study, we tested empirically and theor. if PAHs are precursors for amino acids in carbonaceous chondrites, as previously suggested. We conducted experiments to synthesize amino acids from fluoranthene (PAH), with ammonium bicarbonate as a source for ammonia and carbon dioxide under mimicked asteroidal conditions. In our thermodn. calculations, we extended our anal. to addnl. PAH-amino acid combinations. We explored 36 reactions involving the PAHs naphthalene, anthracene, fluoranthene, pyrene, triphenylene, and coronene and the amino acids glycine, alanine, valine, leucine, phenylalanine, and tyrosine. Our experiments do not show the formation of amino acids, whereas our theor. results hint that PAHs could be precursors of amino acids in carbonaceous chondrites at low temperatures

ACS Earth and Space Chemistry published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Safety of Coronene.

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

Pant, Kirty published the artcileAssessment of fatty acids, amino acids, minerals, and thermal properties of bee propolis from Northern India using a multivariate approach, Synthetic Route of 6217-54-5, the publication is Journal of Food Composition and Analysis (2022), 104624, database is CAplus.

First-ever, the propolis samples collected from different geog. locations of Northern India were investigated based on nutritional composition and thermal anal. Gas chromatograph flame ionization detector (GC-FID) identified the presence of essential fatty acids: linoleic acid, ¦Á-linolenic acid, cis-11,14,17-eicosatrienoic acid, eicosapentaenoic acid, docosahexaenoic acid, ¦Ã-linolenic acid, dihomo-¦Ã-linolenic acid, and cis-11-14-eicosadienoic acid in the samples. Addnl., first-time detection of 17 amino acids showed the presences of tyrosine, glutamic acid, threonine, arginine, lysine and aspartic acid as predominant in the samples, whereas microwave plasma-at. emission spectroscopy (MP-AES) revealed abundance of calcium (5706.2-3121.0 mg/kg) followed by potassium (2636.0-1615.5 mg/kg), iron (2487.0-1161.2 mg/kg) and magnesium (1573.4-841.0 mg/kg). Furthermore, differential scanning calorimetry (DSC) showed major endothermic peaks at approx. 60 C demonstrating melting of long and medium chain fatty acids especially beeswax and palmitic acid, while the secondary peaks exposed vaporization of aromatic compounds Thermogravimetric analyzer (TGA) depicted major weight loss of propolis between 270 and 470 ¡ãC and obtained 14.99-40.02% residual weight Principal Component anal. demonstrated 99.18% variation in the first three principal components. Hierarchical cluster anal. categorized all the propolis samples successfully based on geog. locations. This study may assist quality control authorities to establish nutritional and quality standards of Indian propolis in future.

Journal of Food Composition and Analysis published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C22H32O2, Synthetic Route of 6217-54-5.

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

Azeredo, Juliano Braun published the artcilePolysorbate 80/UHP as a recyclable, bio-degradable and metal-free safer system for the fast oxidation of thiols, Formula: C14H10O4S2, the publication is Tetrahedron Letters (2022), 153883, database is CAplus.

Herein, an efficient, fast, mild and sustainable protocol for the oxidation of thiols using urea hydrogen peroxide (UHP) to give the corresponding disulfides RSSR¹ [R = R¹ = Ph, 4-ClC₆H₄, 2-pyridyl, etc.] in good to excellent yields. The methodol. used polysorbate 80 as a greener solvent and catalyst which was, for the first time, recovered from the reaction medium and reused.

Tetrahedron Letters published new progress about 119-80-2. 119-80-2 belongs to catalysis-chemistry, auxiliary class sulfides,Carboxylic acid,Benzene, name is 2,2′-Dithiodibenzoic acid, and the molecular formula is C14H10O4S2, Formula: C14H10O4S2.

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

Patil, Nitin A. published the artcileAn efficient approach for the design and synthesis of antimicrobial peptide-peptide nucleic acid conjugates, Synthetic Route of 71989-31-6, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2022), 843163, database is CAplus and MEDLINE.

Peptide-Peptide Nucleic Acid (PNA) conjugates targeting essential bacterial genes have shown significant potential in developing novel antisense antimicrobials. The majority of efforts in this area are focused on identifying different PNA targets and the selection of peptides to deliver the peptide-PNA conjugates to Gram-neg. bacteria. Notably, the selection of a linkage strategy to form peptide-PNA conjugate plays an important role in the effective delivery of PNAs. Recently, a unique Cysteine- 2-Cyanoisonicotinamide (Cys- CINA) click chem. has been employed for the synthesis of cyclic peptides. Considering the high selectivity of this chem., we investigated the efficiency of Cys-CINA conjugation to synthesize novel antimicrobial peptide-PNA conjugates. The PNA targeting acyl carrier protein gene (acpP), when conjugated to the membrane-active antimicrobial peptides (polymyxin), showed improvement in antimicrobial activity against multidrug-resistant Gram-neg. Acinetobacter baumannii. Thus, indicating that the Cys-CINA conjugation is an effective strategy to link the antisense oligonucleotides with antimicrobial peptides. Therefore, the Cys-CINA conjugation opens an exciting prospect for antimicrobial drug development.

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C20H19NO4, Synthetic Route of 71989-31-6.

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

Le, Le Thi My published the artcileStructures of the human peroxisomal fatty acid transporter ABCD1 in a lipid environment, Name: Docosahexaenoic Acid, the publication is Communications Biology (2022), 5(1), 7, database is CAplus and MEDLINE.

The peroxisomal very long chain fatty acid (VLCFA) transporter ABCD1 is central to fatty acid catabolism and lipid biosynthesis. Its dysfunction underlies toxic cytosolic accumulation of VLCFAs, progressive demyelination, and neurol. impairments including X-linked adrenoleukodystrophy (X-ALD). We present cryo-EM structures of ABCD1 in phospholipid nanodiscs in a nucleotide bound conformation open to the peroxisomal lumen and an inward facing conformation open to the cytosol at up to 3.5 ? resolution, revealing details of its transmembrane cavity and ATP dependent conformational spectrum. We identify features distinguishing ABCD1 from its closest homologs and show that CoA (CoA) esters of VLCFAs modulate ABCD1 activity in a species dependent manner. Our data suggest a transport mechanism where the CoA moieties of VLCFA-CoAs enter the hydrophilic transmembrane domain while the acyl chains extend out into the surrounding membrane bilayer. The structures help rationalize disease causing mutations and may aid ABCD1 targeted structure-based drug design.

Communications Biology published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C22H32O2, Name: Docosahexaenoic Acid.

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

Kondo, Naoya published the artcileDevelopment of PEGylated peptide probes conjugated with ¹⁸F-labeled BODIPY for PET/optical imaging of MT1-MMP activity, Formula: C17H37NO3, the publication is Journal of Controlled Release (2015), 220(Part_A), 476-483, database is CAplus and MEDLINE.

Since the processing activity of the matrix metalloproteinase MT1-MMP regulates various cellular functions such as motility, invasion, growth, differentiation and apoptosis, precise in vivo evaluation of MT1-MMP activity in cancers can provide beneficial information for both basic and clin. studies. For this purpose, we designed a cleavable Positron Emission Tomog. (PET)/optical imaging probe consisting of BODIPY650/665 and polyethylene glycol (PEG) conjugated to opposite ends of MT1-MMP substrate peptides. We used in vitro and in vivo fluorescence experiments to select suitable substrate peptide sequences and PEG sizes for the MT1-MMP probes and obtained an optimized structure referred to here as MBP-2k. Radiofluorinated MBP-2k ([¹⁸F]MBP-2k) was then successfully synthesized via an ¹⁸F-¹⁹F isotopic exchange reaction in BODIPY650/665. After i.v. injection into mice with xenografted tumors, [¹⁸F]MBP-2k showed significantly higher accumulation in HT1080 tumors with high MT1-MMP activity than in A549 tumors that have low MT1-MMP activity. Moreover, PET images showed better contrast in HT1080 tumors. These results show that [¹⁸F]MBP-2k can be used as a hybrid PET/optical imaging agent and is a promising probe for non-invasive monitoring of MT1-MMP activity in cancers. This probe may also efficiently combine targeted tumor imaging with image-guided surgery that could be beneficial for patients in the future.

Journal of Controlled Release published new progress about 17351-62-1. 17351-62-1 belongs to catalysis-chemistry, auxiliary class Salt,Amine, name is Tetrabutylammonium hydrogencarbonate, and the molecular formula is C17H37NO3, Formula: C17H37NO3.

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