Category: 4719-04-4

On December 31, 2021, Chen, Guzhong; Song, Zhen; Qi, Zhiwen published an article.Product Details of 4719-04-4 The title of the article was Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. And the article contained the following:

A deep learning (DL) method for quickly predicting surface charge d. profiles (σ-profile) and cavity volumes (VCOSMO) of mols. for the COSMO-SAC model is developed. The mol. fingerprints are derived from the encoder state of a Transformer model pre-trained on the ChEMBL database, which allows transfer learning from large-scale unlabeled data and improve generalization performance by developing better mol. fingerprints for building models with significantly smaller datasets. Employing the pre-trained mol. fingerprints, a convolutional neural network (CNN) model for the σ-profile and VCOSMO prediction is trained and tested on the VT-2005 database. The obtained Transformer-CNN model presents superior performance to the GC-COSMO approach and enables the prediction of σ-profile and VCOSMO of millions of mols. in only a few minutes. Taking advantages of the model, a high-throughput solvent screening framework based on COSMO-SAC is further proposed and exemplified by searching sustainable solvent for the deterpenation process of citrus essential oils. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Product Details of 4719-04-4

The Article related to deep learning convolutional neural network charge density, History, Education, and Documentation: Education and other aspects.Product Details of 4719-04-4

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On July 31, 2007, Li, Lin-Feng; Liu, Guangren; Wang, Jing published an article.Computed Properties of 4719-04-4 The title of the article was Patch test in Chinese patients with cosmetic allergic contact dermatitis to common cosmetic allergens from a European cosmetic series. And the article contained the following:

The frequency of patch test (PT) reactions to common cosmetic allergens (CCAs) in Chinese patients with cosmetic allergic contact dermatitis (CACD) was investigated. A total of 655 consecutive patients with eczema patch tested with a modified European standard series and 20 of 48 CCA from a European cosmetic series during a 2-yr period in Peking University Third Hospital, Beijing, China, were analyzed. Five hundred and ninety-nine of 655 (91.5%) patients finished the study. Among them, 93 (15.5%) patients had suspected CACD. Only 48 of 93 (42%) suspected CACD were confirmed. Other 45 patients (48.4%) developed their dermatitis from beauty shop or beauty center; CACD could not be diagnosed by PT the suspected cosmetics as is, and the patients were not willing to re-use the suspected cosmetics. Because Chinese regulations do not require the cosmetic manufactures labeling the cosmetic ingredients in their products, CACD cannot be diagnosed by CCA PT. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Computed Properties of 4719-04-4

The Article related to allergic contact dermatitis eczema cosmetic allergen, Essential Oils and Cosmetics: Skin Preparations and other aspects.Computed Properties of 4719-04-4

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On October 31, 2002, Kleber, Marcus; Blaszkewicz, Meinolf; Lucas, Stephanie; Bolt, Hermann M.; Foellmann, Wolfram published an article.SDS of cas: 4719-04-4 The title of the article was Mutagenic effects of cutting fluids and components in the Salmonella typhimurium mutagenicity assay. And the article contained the following:

Emulsions of water-soluble cutting fluids (wsCF) are used in large quantities in the metal industry. In order to reduce the costs for use and disposal of these fluids, new technologies are being introduced. Minimist Lubricant Supply (MLS) uses only minimal amounts of cutting fluids. In contrast to conventional wsCF, which are complex multicompound mixtures, MLS cutting fluids are composed of one or two components only, like fatty alcs. and fatty acid esters. The aim of the study was to identify and compare the mutagenic potential of these cutting fluids as a first indicator of a possible hazard of systemic effects after inhalation or dermal absorption of the fluids at the workplace. The Salmonella typhimurium assay (Ames assay) was used as a screening method to detect mutagenic effects of cutting fluids. Conventional wsCF and MLS cutting fluids were tested in the strains TA 98, TA 100, TA 102 and TA 104, in the presence and absence of an external metabolizing enzyme system (rat liver S9-mix), using a preincubation (20 min) test protocol. For MLS fluids, no mutagenicity was found in a concentration range between 1 and 10 mg/plate in the Ames assay. Among five tested conventional wsCF, two were mutagenic in the Ames assay at concentration ranges between 2.5 and 15 mg/plate. In cooperation with the manufacturer, 18 defined components of cutting fluids were tested sep. The results revealed that formaldehyde generators, derivatives of oxazolidine and hexahydrotriazine used as biocides for preservation of the fluids, were mutagenic. Four components were nonmutagenic but cytotoxic, whereas the remaining components displayed no bacterial mutagenicity. The present results show the potential hazard of biocides for workers handling these fluids. An exposure via inhalation and/or dermal absorption could cause an addnl. risk due to mutagenic ingredients. Under aspects of workers’ safety, a further discussion about the use of specific components in cutting fluids is recommended. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).SDS of cas: 4719-04-4

The Article related to mutation mutagen cutting fluid salmonella, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.SDS of cas: 4719-04-4

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On April 30, 2007, Serafimova, R.; Todorov, M.; Pavlov, T.; Kotov, S.; Jacob, E.; Aptula, A.; Mekenyan, O. published an article.Recommanded Product: 4719-04-4 The title of the article was Identification of the Structural Requirements for Mutagenicity, by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals. II. General Ames Mutagenicity Model. And the article contained the following:

The tissue metabolic simulator (TIMES) modeling approach is a hybrid expert system that couples a metabolic simulator together with structure toxicity rules, underpinned by structural alerts, to predict interaction of chems. or their metabolites with target macromols. Some of the structural alerts representing the reactivity pattern-causing effect could interact directly with the target whereas others necessitated a combination with two- or three-dimensional quant. structure-activity relationship models describing the firing of the alerts from the rest of the mols. Recently, TIMES has been used to model bacterial mutagenicity (O. Mekenyan, O., et al.,2004). The original model was derived for a single tester strain, Salmonella typhimurium (TA100), using the Ames test by the National Toxicol. Program (NTP). The model correctly identified 82% of the primary acting mutagens, 94% of the nonmutagens, and 77% of the metabolically activated chems. in a training set. The identified high correlation between activities across different strains changed the initial strategic direction to look at the other strains in the next modeling developments. In this respect, the focus of the present work was to build a general mutagenicity model predicting mutagenicity with respect to any of the Ames tester strains. The use of all reactivity alerts in the model was justified by their interaction mechanisms with DNA, found in the literature. The alerts identified for the current model were analyzed by comparison with other established alerts derived from human experts. In the new model, the original NTP training set with 1341 structures was expanded by 1626 proprietary chems. provided by BASF AG. Eventually, the training set consisted of 435 chems., which are mutagenic as parents, 397 chems. that are mutagenic after S9 metabolic activation, and 2012 nonmutagenic chems. The general mutagenicity model was found to have 82% sensitivity, 89% specificity, and 88% concordance for training set chems. The model applicability domain was introduced accounting for similarity (structural, mechanistic, etc.) between predicted chems. and training set chems. for which the model performs correctly. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Recommanded Product: 4719-04-4

The Article related to mutagenicity mol flexibility qsar model mutagen, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Recommanded Product: 4719-04-4

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On August 31, 2007, Serafimova, R.; Todorov, M.; Pavlov, T.; Kotov, S.; Jacob, E.; Aptula, A.; Mekenyan, O. published an article.COA of Formula: C9H21N3O3 The title of the article was Identification of the Structural Requirements for Mutagenicity, by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals. II. General Ames Mutagenicity Model. [Erratum to document cited in CA146:516278]. And the article contained the following:

On page 673, in the conclusion section, the text, “As a comparative exercise, the alerts used in the present work were compared with three alert lists of Ashby, Kazius, and Benigni,” should read: “As a comparative exercise, the alerts used in the present work were compared with alert lists of Ashby and Kazius, as well as the lists reported by Benigni in his review.”. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).COA of Formula: C9H21N3O3

The Article related to erratum mutagenicity mol flexibility qsar model mutagen, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.COA of Formula: C9H21N3O3

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Duan, Jihua; Jiang, Guichang published an article in 2022, the title of the article was Synthesis, Characterization and Properties of Antibacterial Polyurethanes †.HPLC of Formula: 4719-04-4 And the article contains the following content:

Novel phys. crosslinked polyurethane (PUII), based on isophorone diisocyanates, was prepared by a conventional two-step method. The chem. structures of the PUII were characterized by fourier transform IR, proton NMR (1H NMR), gel permeation chromatog., SEM and DSC. The PUII hydrogels were subjected to solvent-induced self-assembly in THF + water to construct a variety of morphologies. The self-assembly morphol. of the PUII was observed by SEM. The PUII films with different amounts (0.2%, 0.4%, 0.6%, 0.8%, 1.0%) of 1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine (TNO) were challenged with Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Gray mold. The results showed that when a small amount of antibacterial agent were added, the antibacterial effect of films on Botrytis cinerea was more obvious. The mech. evaluation shows that the antimicrobial polyurethane films exhibit good mech. properties. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).HPLC of Formula: 4719-04-4

The Article related to antibacterial polyurethane synthesis self assembly morphol property, electron microscopy, morphology, polyurethanes, self-assembly, Plastics Fabrication and Uses: Plastic Product Uses and other aspects.HPLC of Formula: 4719-04-4

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On December 31, 2006, Geier, Johannes; Lessmann, Holger; Becker, Detlef; Bruze, Magnus; Frosch, Peter J.; Fuchs, Thomas; Jappe, Uta; Koch, Patrick; Pfoehler, Claudia; Skudlik, Christoph published an article.Synthetic Route of 4719-04-4 The title of the article was Patch testing with components of water-based metalworking fluids: results of a multicenter study with a second series. And the article contained the following:

Background: Although many allergens in metalworking fluids (MWF) are identified, there are still some MWF components, which are not sufficiently investigated concerning their sensitizing properties. Objectives: To investigate sensitization to 10 frequently used MWF components, which are not part of the established MWF test series, in metalworkers with suspected occupational dermatitis due to MWF. Patients/Methods: Oleyl alc., myristyl alc., dimethylolurea, 4,4′-methylenebis morpholine, imazalil, 1-amino-2-propanol (monoisopropanolamine; MIPA), 2-amino-2-ethyl-1,3-propanediol (AEPD), 2,5-bis(n-octyldithio)-1,3,4-thiadiazole, zinc alkyl dithiophosphate and dibenzyl disulfide have been patch tested in 144 patients. Results: 7 patients reacted pos. to the formaldehyde releaser 4,4′-methylenebis morpholine, and 6 of these patients also reacted to formaldehyde and/or other formaldehyde releasers. 4 Patients reacted pos. to myristyl alc. tested at 10% petrolatum (pet.). Addnl., 20 doubtful or irritant reactions occurred. 1 Patient each reacted pos. to oleyl alc., MIPA, and AEPD. None of the other test substances mentioned above elicited any clear-cut pos. reaction. Patch testing with well-known MWF allergens showed proportions of pos. reactions, which were comparable to those from other studies, e.g. 11% to monoethanolamine, 8% to colophonium and 3%-5% to various preservatives. Conclusions: 4,4′-methylenebis morpholine may be an important MWF allergen, although clin. relevance could not be stated definitely in every case. Myristyl alc. should not be patch tested at 10% pet., but at a lesser concentration, due to irritant properties. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Synthetic Route of 4719-04-4

The Article related to skin allergy allergen metalworking fluid occupational health hazard, Toxicology: Chemicals (Household, Industrial, General) and other aspects.Synthetic Route of 4719-04-4

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On July 31, 2016, Li, Xiying; Shi, Bing; Chaikittisilp, Watcharop; Li, Mengmeng; Wang, Yujie; Liu, Yong; Gao, Li; Mao, Liqun published an article.HPLC of Formula: 4719-04-4 The title of the article was A general method to synthesize a family of mesoporous silica nanoparticles less than 100 nm and their applications in anti-reflective/fogging coating. And the article contained the following:

Recent advances in strategies for synthesizing mesoporous silica particle (MSN) have enabled the precise control of its morphol., size, and composition which afford the applications in drug delivery and heterogeneous catalysis. Especially for drug delivery, the size of MSNs <100 nm is a prerequisite allowing for hemolysis effect. However, a general method for the synthesis of MSNs with uniform size distribution <100 nm still remains challenging. Herein, a general method was developed to synthesize a family of aqueous colloidal MSNs with uniform size <100 nm using small organic amines (SOAs) or nitrogen-containing heterocyclic compounds (NCHCs) as alk. catalysts in the presence of cationic quaternary ammonium salts as organic templates. The size of MSNs can be easily adjusted within the range from 28 to 100 nm by the cooperative effect of the mixed alk. catalysts or using different quaternary ammonium surfactants as templates. Also, texture properties of MSNs including pore diameter and surface area were controlled by selecting different kinds of SOAs or NCHCs. Based on the low refractive index of MSNs, these as-prepared MSNs serve as building blocks and afford an anti-reflective/fogging coating on glass slide through a facile dip-coating method. The experimental process involved the reaction of 2,2',2''-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).HPLC of Formula: 4719-04-4

The Article related to mesoporous silica nanoparticle monodisperse templating antireflective fogging coating, Industrial Inorganic Chemicals: Bases and Metal Oxides and other aspects.HPLC of Formula: 4719-04-4

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On November 30, 2008, Aalto-Korte, Kristiina; Kuuliala, O.; Suuronen, K.; Alanko, K. published an article.Recommanded Product: 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol The title of the article was Occupational contact allergy to formaldehyde and formaldehyde releasers. And the article contained the following:

Formaldehyde allergy is common and usually derives from formaldehyde-releasing biocides in cosmetic and other products. To analyze patterns of patch test reactions to formaldehyde and formaldehyde-releasing compounds and the sources of sensitization. At the Finnish Institute of Occupational Health, we screened the patch test files for allergic reactions to formaldehyde and 12 formaldehyde-releasing compounds All patients with contact allergy to any of the substances were included, and their records were reviewed. Between Jan. 2001 and May 2007, we had patch tested 81 patients with formaldehyde allergy and 18 with independent allergy to some formaldehyde releaser. Of the formaldehyde allergies, 60 were new sensitizations, 25 of which were considered to be occupational. The most common source of occupational sensitization was metalworking fluids followed by creams and related products. Exposure to formaldehyde-releasing preservatives in liquid soaps and other rinse-off products was common in both occupational and non-occupational cases. Reactions to formaldehyde-releasing compounds were seen in 79% of the formaldehyde-allergic patients. Occupational formaldehyde allergy was common and occurred in metalworkers, hair-dressers, masseurs, and workers using protective creams, detergents, and liquid soaps. When compared with studies on general dermatol. patients, contact allergy to formaldehyde releasers without formaldehyde allergy was rare. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Recommanded Product: 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol

The Article related to formaldehyde contact allergy occupational exposure, Toxicology: Chemicals (Household, Industrial, General) and other aspects.Recommanded Product: 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol

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On September 30, 2002, Trattner, A.; Farchi, Y.; David, M. published an article.Related Products of 4719-04-4 The title of the article was Cosmetics patch test: first report from Israel. And the article contained the following:

A total of 244 Israeli patients with suspected cosmetic contact dermatitis was patch tested on the upper back with the European standard series and a cosmetic series using Finn Chambers on Scanpor tape. The patches were removed after 2 days, and readings made on day 2 and day 3. A pos. response to one or more allergens in the cosmetics series was found in 80 patients. The most frequent allergens were methylchloroisothiazolinone + methylisothiazolinone, thimerosal, triethanolamine, and octyl gallate. Thus, its is recommended that a cosmetics series be added to the standard series in all patients with suspected cosmetic contact dermatitis. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Related Products of 4719-04-4

The Article related to cosmetic contact dermatitis patch testing, Toxicology: Chemicals (Household, Industrial, General) and other aspects.Related Products of 4719-04-4

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