Month: November 2022

Cho, Taeheum; Han, Hyo-Sang; Jeong, Junhyuk; Park, Eun-Mi; Shim, Kyu-Sik published an article in 2021, the title of the article was A novel computational approach for the discovery of drug delivery system candidates for COVID-19.Safety of H-Phg(4-OH)-OH And the article contains the following content:

In order to treat Coronavirus Disease 2019 (COVID-19), we predicted and implemented a drug delivery system (DDS) that can provide stable drug delivery through a computational approach including a clustering algorithm and the SchrÖdinger software. Six carrier candidates were derived by the proposed method that could find mols. meeting the predefined conditions using the mol. structure and its functional group positional information. Then, just one compound named glycyrrhizin was selected as a candidate for drug delivery through the SchrÖdinger software. Using glycyrrhizin, nafamostat mesilate (NM), which is known for its efficacy, was converted into micelle nanoparticles (NPs) to improve drug stability and to effectively treat COVID-19. The spherical particle morphol. was confirmed by transmission electron microscopy (TEM), and the particle size and stability of 300-400 nm were evaluated by measuring DLSand the zeta potential. The loading of NM was confirmed to be more than 90% efficient using the UV spectrum. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Safety of H-Phg(4-OH)-OH

The Article related to discovery drug delivery system covid, cadd, covid-19, clustering, computer-aided drug discovery, docking, drug delivery system, in silico, machine learning, micelle nanoparticles, nafamostat, unsupervised learning and other aspects.Safety of H-Phg(4-OH)-OH

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On November 20, 2020, Pereira-Caro, Gema; Clifford, Michael N.; Polyviou, Thelma; Ludwig, Iziar A.; Alfheeaid, Hani; Moreno-Rojas, Jose Manuel; Garcia, Ada L.; Malkova, Dalia; Crozier, Alan published an article.Application of 621-37-4 The title of the article was Plasma pharmacokinetics of (poly)phenol metabolites and catabolites after ingestion of orange juice by endurance trained men. And the article contained the following:

The health benefits of orange juice (OJ) consumption are attributed in part to the circulating flavanone phase II metabolites and their microbial-derived ring fission phenolic catabolites. The present study investigated these compounds in the bloodstream after acute intake of 500 mL of OJ. Plasma samples obtained at 0, 1, 2, 3, 4, 5, 6, 7, 8 and 24 h after OJ intake were analyzed by HPLC-HR-MS. Eleven flavanone metabolites and 36 phenolic catabolites were identified and quantified in plasma. The main metabolites were hesperetin-3-sulfate with a peak plasma concentration (Cmax) of 80 nmol/L, followed by hesperetin-7-glucuronide (Cmax 24 nmol/L), hesperetin-3-glucuronide (Cmax 18 nmol/L) and naringenin-7-glucuronide (Cmax 21 nmol/L). Among the main phenolic catabolites to increase in plasma after OJ consumption were 3-methoxycinnamic acid-4-sulfate (Cmax 19 nmol/L), 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid (Cmax 20 nmol/L), 3-(3-hydroxy-4-methoxyphenyl)propanoic acid (Cmax 19 nmol/L), 3-(4-hydroxyphenyl)propanoic acid (Cmax 25 nmol/L), and 3-(phenyl)propanoic acid (Cmax 19 nmol/L), as well as substantial amounts of phenylacetic and hippuric acids. The comprehensive plasma pharmacokinetic profiles that were obtained are of value to the design of future ex vivo cell studies, aimed at elucidating the mechanisms underlying the potential health benefits of OJ consumption. This trial was registered at clinicaltrials.gov as NCT02627547. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Application of 621-37-4

The Article related to polyphenol metabolite catabolite ingestion orange juice plasma pharmacokinetics, 3-hydroxy-3-(phenyl)propanoic acids, absorption, metabolites, microbial catabolites, orange juice (poly)phenols, potential bioactivity and other aspects.Application of 621-37-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On February 22, 2022, Leong, Shi Xuan; Leong, Yong Xiang; Tan, Emily Xi; Sim, Howard Yi Fan; Koh, Charlynn Sher Lin; Lee, Yih Hong; Chong, Carice; Ng, Li Shiuan; Chen, Jaslyn Ru Ting; Pang, Desmond Wei Cheng; Nguyen, Lam Bang Thanh; Boong, Siew Kheng; Han, Xuemei; Kao, Ya-Chuan; Chua, Yi Heng; Phan-Quang, Gia Chuong; Phang, In Yee; Lee, Hiang Kwee; Abdad, Mohammad Yazid; Tan, Nguan Soon; Ling, Xing Yi published an article.Name: Pentane-1,5-diol The title of the article was Noninvasive and Point-of-Care Surface-Enhanced Raman Scattering (SERS)-Based Breathalyzer for Mass Screening of Coronavirus Disease 2019 (COVID-19) under 5 min. And the article contained the following:

Population-wide surveillance of COVID-19 requires tests to be quick and accurate to minimize community transmissions. The detection of breath volatile organic compounds presents a promising option for COVID-19 surveillance but is currently limited by bulky instrumentation and inflexible anal. protocol. Here, we design a hand-held surface-enhanced Raman scattering-based breathalyzer to identify COVID-19 infected individuals in under 5 min, achieving >95% sensitivity and specificity across 501 participants regardless of their displayed symptoms. Our SERS-based breathalyzer harnesses key variations in vibrational fingerprints arising from interactions between breath metabolites and multiple mol. receptors to establish a robust partial least-squares discriminant anal. model for high throughput classifications. Crucially, spectral regions influencing classification show strong corroboration with reported potential COVID-19 breath biomarkers, both through experiment and in silico. Our strategy strives to spur the development of next-generation, noninvasive human breath diagnostic toolkits tailored for mass screening purposes. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Name: Pentane-1,5-diol

The Article related to poct sers breathalyzer sarscov2 covid19 diagnosis silver nanocube, breath volatile organic compounds (bvocs), breathomics, coronavirus disease 2019 (covid-19), mass screening, surface-enhanced raman scattering (sers) and other aspects.Name: Pentane-1,5-diol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bazylak, G. published an article in 1994, the title of the article was Differentiation of alkanolamine properties by multivariate analysis of a database founded by their molecular parameters and chromatographic measurements results.Product Details of 2160-93-2 And the article contains the following content:

A set of 29 congeneric alkanolamines, mainly ethanolamine and diethanolamine derivatives, were analyzed in 3 different paper chromatog. and 2 similar reversed-phase TLC methods to create a database. The capacity factors of the solutes in the RP-TLC were determined using octadecyl-silica layers using 9:1 mixtures of MeOH+H2O or MeCN+H2O as mobile phases. Seven topol. and informational mol. descriptors of the solutes were calculated All the chromatog. and mol. data were subjected to principal component anal. (PCA) and hierarchical cluster anal. (HCA) which indicated the main factors affecting the observed physicochem. similarities and dissimilarities of alkanolamines in the chromatog. systems. Multivariate statistical classification of the alkanolamines showed a slight difference in the results of PCA and HCA evaluation. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Product Details of 2160-93-2

The Article related to alkanolamine property database multivariate analysis, paper chromatog alkanolamine, planar chromatog alkanolamine, reversed phase tlc alkanolamine, thin layer chromatog alkanolamine, topol mol descriptor alkanolamine and other aspects.Product Details of 2160-93-2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On February 19, 2020, Gonzalez-Dominguez, Raul; Urpi-Sarda, Mireia; Jauregui, Olga; Needs, Paul W.; Kroon, Paul A.; Andres-Lacueva, Cristina published an article.Reference of 3-Hydroxyphenylacetic acid The title of the article was Quantitative Dietary Fingerprinting (QDF)-A Novel Tool for Comprehensive Dietary Assessment Based on Urinary Nutrimetabolomics. And the article contained the following:

Accurate dietary assessment is a challenge in nutritional research, needing powerful and robust tools for reliable measurement of food intake biomarkers. In this work, we have developed a novel quant. dietary fingerprinting (QDF) approach, which enables for the first time the simultaneous quantitation of about 350 urinary food-derived metabolites, including (poly)phenolic aglycons, phase II metabolites, and microbial-transformed compounds, as well as other compounds (e.g., glucosinolates, amino acid derivatives, methylxanthines, alkaloids, and markers of alc. and tobacco consumption). This method was fully validated for 220 metabolites, yielding good linearity, high sensitivity and precision, accurate recovery rates, and negligible matrix effects. Furthermore, 127 addnl. phase II metabolites were also included in this method after identification in urines collected from acute dietary interventions with various foods. Thus, this metabolomic approach represents one-step further toward precision nutrition and the objective of improving the accurateness and comprehensiveness in the assessment of dietary patterns and lifestyles. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Reference of 3-Hydroxyphenylacetic acid

The Article related to quant dietary fingerprinting urine nutrimetabolomics, dietary assessment, quantitative dietary fingerprinting (qdf), targeted metabolomics, ultra-high-performance liquid chromatography−tandem mass spectrometry, urine and other aspects.Reference of 3-Hydroxyphenylacetic acid

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On November 13, 1985, Schultz, Rose Ann; White, Banita D.; Dishong, Dennis M.; Arnold, Kristin A.; Gokel, George W. published an article.Computed Properties of 2160-93-2 The title of the article was 12-, 15-, and 18-Membered-ring nitrogen-pivot lariat ethers: syntheses, properties, and sodium and ammonium cation binding properties. And the article contained the following:

N-pivot lariat ethers of varying ring sizes can be prepared by cyclization of an amine or substituted diol. 12-Membered ethers I [R = PhCH2, 2-, 4-MeOC6H4, 2-MeOC6H4CH2, HO(CH2)3, Me2NCH2CH2, MeOCH2CH2; n = 1] were prepared by the method of M. Calverley and J. Dale (1982); this involves cyclo-bis-dialkylation of an amine with 1,11-diiodo-3,6,9-trioxaundecane. I (R = 2-O2NC6H4CH2, 3,6-dioxaheptyl, 3,6,9-trioxadecyl, 3,6,9,12-tetraoxatridecyl, 11-allyloxy-3,6,9-trioxaundecyl; n = 1) did not form in high yield by this method or were more conveniently prepared by alkylation of I (R = H, n = 1). The latter was prepared from I (R = PhCH2, n = 1) by hydrogenolysis. Monoaza-15-crown-5 derivatives I (R = allyl, Bu, Me3C, PhCH2, MeOCH2CH2, 3,6-dioxaheptyl, 3,6,9,12,15,18,21,24-octaoxapentacosyl, 2-MeOC6H4, 4-MeOC6H4, 2-MeOC6H4CH2; n = 2) were prepared by cyclizing RN(CH2CH2OH)2 with R1(OCH2CH2)3OR1 (R1 = MeSO2, 4-MeC6H4SO2). I (R = Me, 2-O2NC6H4CH2, 4-O2NC6H4CH2, Me3CO2CCH2, n =2) were prepared by the alkylation of I (R = H, n = 2) which was prepared by hydrogenolysis I (R = PhCH2, n = 2). Monoaza-18-crown-6 derivatives I (R = H, Me, PhCH2, MeOCH2CH2, 3,6-dioxaheptyl, 3,6,9-trioxadecyl, 3,6,9,12-tetraoxatridecyl, 3,6,9,12,15-pentaoxahexadecyl, 3,6,9,12,15,18,21,24-octaoxapentacosyl, 2-MeOC6H4; n = 3) were analogously prepared Studies involving NH4 cation binding show that the interaction of ring and side-chain with the cation is intramol. in MeOH solution; the Na cation binds similarly. X-ray crystal structure evidence confirms this for the solid state in the I (R = 2-MeOCH2CH2, n = 3)·KI complex. The strongest binding for Na occurs when 6 O are present, regardless of ring size, which suggests that a flexible macrocycle is directed by the cation to envelop and solvate in the geometry most appropriate for the cation. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Computed Properties of 2160-93-2

The Article related to azacrown ether cation binding preparation, nitrogen pivot lariat ether cation binding, crown ether cation binding preparation, inclusion compound monoazacrown ether cation, diethanolamine cyclization glycol dimesylate and other aspects.Computed Properties of 2160-93-2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On September 3, 2009, Vicker, Nigel; Su, Xiangdong; Pradaux-Caggiano, Fabienne; Potter, Barry Victor Lloyd published a patent.Category: alcohols-buliding-blocks The title of the patent was Adamantyl, phenyl, and benzyl ketone derivatives as inhibitors of 11β-hydroxysteroid dehydrogenase type I useful in the treatment of diseases and preparation and pharmaceutical compositions thereof. And the patent contained the following:

Title compounds I and their pharmaceutical compositions are prepared and disclosed as inhibitors of 11β-hydroxysteroid dehydrogenase type I (11β-HSD1) useful in the treatment of diseases. Compounds I [X and Z independently = (un)saturated C1-3 carbon chain; Y = S, SO, SO2, CH=CH, CH2CH2, or O; R1 = 1-adamantyl, 2,4,6-trimethylphenyl, 1-(4-chlorophenyl)C3-6 cycloalkyl, or 2-(4-chlorophenyl)propan-2-yl; R2 = (un)substituted 5- to 6- membered N-containing heteroaryl; with the provision that when R1 = 1-adamantyl and X-Y-Z = CH2S, CH2SO, or CH2SO2, then R2 ≠ 1-methylimidazol-2-yl; or when R1 = 1-adamantyl and X-Y-Z = CH2O, then R2 ≠ 2-methylpyridinyl] are claimed. For example, compound II was prepared via substitution of 2-bromo-1-[1-(4-chlorophenyl)cyclopropyl]ethanone with 2-mercapto-1-methylimidazole. Select I were assayed for 11β-HSD1 inhibition and compound II was found to possess >60% inhibition at 1 μM concentration The experimental process involved the reaction of (6-(Trifluoromethyl)pyridin-3-yl)methanol(cas: 386704-04-7).Category: alcohols-buliding-blocks

The Article related to adamantyl ketone derivative preparation 11 beta hydroxysteroid dehydrogenase inhibitor, phenyl ketone derivative preparation 11 beta hsd1 inhibitor, benzyl ketone preparation 11 beta hydroxysteroid dehydrogenase type i and other aspects.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Heussner, Kirsten; Grabau, Mathias; Forster, Johannes; Streb, Carsten published an article in 2011, the title of the article was Can Hydrophobic Interactions Influence Supramolecular Aggregation in Self-Assembled Organic-Inorganic Hybrid Structures?.Category: alcohols-buliding-blocks And the article contains the following content:

This study aims to provide insights into the ability of amphiphilic cations to influence the assembly of hybrid organic-inorganic crystal lattices using hydrophobic interactions. To study the hypothesis, a prototype amphiphilic cation, tert-butyldiethanolammonium, was employed together with molybdenum oxide clusters of increasing size and charge in the self-assembly of type I hybrid systems. The molybdate clusters were used as model inorganic building blocks as they can be formed in situ and their size and charge can be adjusted by pH control. Using this strategy, three hybrid structures were obtained and characterized using single-crystal x-ray diffraction, theor. bond valence sum calculations, elemental anal., FTIR spectroscopy, TG and theor. Hirshfeld anal. Heptamolybdate Na5[tBuNH(C2H4OH)2][Mo7O24]·ca. 14H2O (1) was isolated, which features sodium-linked dimeric cluster species and isolated octadecanuclear sodium clusters. Octamolybdate [tBuNH(C2H4OH)2]4[Mo8O26]·ca. 4H2O (2) was isolated, containing the octanuclear β-[Mo8O26]4- cluster. At low pH levels (below pH 2), [tBuNH(C2H4OH)2]14[Mo36O112(H2O)16][Mo36O112(H2O)14{tBuNH(C2H4OH)2}2]·ca. 36H2O (3) was obtained, which is based on a 36-center molybdenum oxide cluster. Crystallog. anal. of the assemblies showed that the formation of hydrophobic regions within the crystal lattice is affected by the size of the inorganic building blocks employed. In 1 and 2, the hydrophobic tert-Bu groups of the amphiphilic cations aggregate into hydrophobic assemblies. In contrast, the structural arrangement in 3 is dominated by the large inorganic cluster and the organic cations are incorporated as isolated units. This behavior is further supported by theor. Hirshfeld surface anal. of the organic counterions, which suggests that, with increasing cluster size, the contribution of long-range, hydrophobic intermol. interactions decreases, which is in line with the crystallog. anal. for 1-3. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Category: alcohols-buliding-blocks

The Article related to heptamolybdate octamolybdate polymolybdate amphiphilic butyldiethanolammonium preparation crystal supramol structure, crystal structure heptamolybdate octamolybdate polymolybdate amphiphilic butyldiethanolammonium salt and other aspects.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Stoller, Sven; Sicoli, Giuseppe; Baranova, Tatiana Y.; Bennati, Marina; Diederichsen, Ulf published an article in 2011, the title of the article was TOPP-A Novel Nitroxide-Labeled Amino Acid for EPR Distance Measurements.COA of Formula: C8H9NO3 And the article contains the following content:

We report the synthesis of a novel, rigid nitroxide-labeled amino acid 4-(3,3,5,5-tetramethyl-2,6-dioxo-4-oxylpiperazin-1-yl)-L-phenylglycine (TOPP, I) that does not produce perturbation of the secondary structure, thus, providing a promising tool for structural studies of peptides and proteins. The design of the TOPP amino acid is based on the alignment of the nitroxide with the Cα-Cβ amino acid bond on one axis and the synthetic applicability with respect to racemization at Cα during amino acid and peptide oligomer synthesis. The present study illustrates the straightforward assignment of a spin-spin distance measured by pulsed EPR which is in contrast to the different and ambiguous result obtained with the commonly used MTSSL label. Furthermore, the predicted reduced mobility of the TOPP spin label represents a potential advantage for its incorporation into transmembrane peptides for the structure determination of peptide arrangements at an at. scale. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).COA of Formula: C8H9NO3

The Article related to topp nitroxide amino acid preparation epr distance peptide, tetramethyldioxooxylpiperazinyl phenylglycine preparation epr distance peptide, nitroxide labeled phenylglycine preparation determination distance peptide epr and other aspects.COA of Formula: C8H9NO3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On March 31, 2021, Holm, Tobias Palle; Meng-Lund, Helena; Rantanen, Jukka; Jorgensen, Lene; Grohganz, Holger published an article.Product Details of 585-88-6 The title of the article was Screening of novel excipients for freeze-dried protein formulations. And the article contained the following:

The typical excipients used as bulking agents and lyoprotectants for freeze-drying are usually limited to only a few selected substances, such as sucrose and mannitol. Considering the sheer diversity amongst proteins, it is doubtful that this limited choice should, in every case, provide the best possible option in order to achieve the most stable product. In this work, a screening of 12 proteins with 64 excipients was conducted in order to increase the knowledge space of potential excipients. Three critical quality attributes (CQAs) of the freeze-dried products, namely the solid state, the cake appearance and the protein integrity based on changes in tryptophan fluorescence were investigated by high throughput X-ray powder diffraction, image anal. and intrinsic fluorescence spectroscopy, resp. It was found, that in some cases the excipient had a dominating influence on the CQAs, while in other cases the CQAs were primarily protein dependent, or that the CQAs were dependent on the combination of both. In the course of this investigation, a general view of potentially relevant excipients, and their interplay with various proteins, was obtained, thereby furthermore paving the way for the use of novel freeze-drying excipients. The experimental process involved the reaction of SweetPearlR P300 DC Maltitol(cas: 585-88-6).Product Details of 585-88-6

The Article related to freeze dried protein formulation lyoprotectant stability, excipients, formulation development, freeze-drying, high throughput, image analysis, intrinsic fluorescence spectroscopy, protein stability, solid state analysis and other aspects.Product Details of 585-88-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts