Day: October 11, 2021

I found the field of Chemistry; Computer Science; Environmental Sciences & Ecology; Mathematical & Computational Biology; Toxicology very interesting. Saw the article QSPR modelling of the soil sorption coefficient from training sets of different sizes published in 2019.0. Formula: C7H8N2O, Reprint Addresses Olguin, CJM (corresponding author), Western Parana State Univ, Grad Program Agr Engn PGEAGRI, Agroenvironm Sci Res Grp, Cascavel, Parana, Brazil.. The CAS is 64-10-8. Through research, I have a further understanding and discovery of 1-Phenylurea

Quantitative structure-property relationship (QSPR) modelling has been used in many scientific fields. This approach has been extensively applied in environmental research to predict physicochemical properties of compounds with potential environmental impact. The soil sorption coefficient is an important parameter for the evaluation of environmental risks, and it helps to determine the final fate of substances in the environment. In the last few years, different QSPR models have been developed for the determination of the sorption coefficient. In this study, several QSPR models were generated and evaluated for the prediction of log K-oc from the relationship with log P. These models were obtained from an extensive and diverse training set (n = 639) and from subsets of this initial set (i.e. halves, fourths and eighths). The aim of this study was to investigate whether the size of the training set affects the statistical quality of the obtained models. Furthermore, statistical equivalence was verified between the models obtained from smaller sets and the model obtained from the total training set. The results confirmed the equivalence between the models, thus indicating the possibility of using smaller training sets without compromising the statistical quality and predictive capability, as long as most chemical classes in the test set are represented in the training set.

Formula: C7H8N2O. About 1-Phenylurea, If you have any questions, you can contact Olguin, CJM; Sampaio, SC; dos Reis, RR; Remor, MB; Olguin, CFA or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

SDS of cas: 90-44-8. Recently I am researching about C-H OXIDATION; HYDROGEN-PEROXIDE; SELECTIVE OXIDATION; ORGANIC-COMPOUNDS; PHASE OXIDATION; LIQUID-PHASE; ANTHRACENE; OXYGEN; HYDROCARBONS; CYCLOHEXANE, Saw an article supported by the National Natural Science Fund of ChinaNational Natural Science Foundation of China (NSFC) [21676079, 21546010]; Natural Science Fund of Hunan Province [2018JJ3335, 14JJ2148, 11JJ6008, 10JJ2007]; Hunan 2011 Collaborative Innovation Center of Chemical Engineering & Technology with Environmental Benignity and Effective Resource Utilization. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Jiang, DB; Hu, WW; Chen, MK; Fu, ZH; Su, AQ; Yang, B; Mao, F; Zhang, C; Liu, YC; Yin, DL. The CAS is 90-44-8. Through research, I have a further understanding and discovery of Anthrone

The development of mild and efficient processes for the selective oxygenation of organic compounds by molecular oxygen (O-2) is key for the synthesis of oxygenates. This paper discloses an atom-efficient synthesis protocol for the photo-oxygenation of 9,10-dihydroanthracene (DHA) by O-2 to anthraquinone (AQ), which could achieve quantitative AQ yield (100 %) without any extra catalysts or additives under ambient temperature and pressure. A yield of 86.4 % AQ was obtained even in an air atmosphere. Furthermore, this protocol showed good compatibility for the photo-oxidation of several other compounds with similar structures to DHA. From a series of control experiments, free-radical quenching, and electron paramagnetic resonance spin-trapping results, the photo-oxygenation of DHA was probably initiated by its photoexcited state DHA*, and the latter could activate O-2 to a superoxide anion radical (O-2(.-)) through the transfer of its electron. Subsequently, this photo-oxidation was gradually dominated by the oxygenated product AQ as an active photocatalyst obtained from the oxidation of DHA by O-2(.-), and was accelerated with the rapid accumulation of AQ. The present photo-oxidation protocol is a good example of selective oxygenation based on the photoexcited substrate self-activated O-2, which complies well with green chemistry ideals.

About Anthrone, If you have any questions, you can contact Jiang, DB; Hu, WW; Chen, MK; Fu, ZH; Su, AQ; Yang, B; Mao, F; Zhang, C; Liu, YC; Yin, DL or concate me.. SDS of cas: 90-44-8

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Authors Liu, W; Lv, GC; Sun, XM; He, L; Zhang, CX; Li, ZQ in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about POLYCYCLIC AROMATIC-HYDROCARBONS; GAS-PHASE REACTIONS; ADVANCED OXIDATION; PHOTOINDUCED TOXICITY; WATER-TREATMENT; RATE CONSTANTS; OH RADICALS; DEGRADATION; PERSULFATE; PHENANTHRENE in [Liu, Wen; Lv, Guochun; Sun, Xiaomin] Shandong Univ, Environm Res Inst, Jinan 250100, Shandong, Peoples R China; [He, Lin] Leibniz Inst Tropospher Res TROPOS, ACD, D-04318 Leipzig, Germany; [Zhang, Chenxi] Binzhou Univ, Coll Biol & Environm Engn, Binzhou 256600, Peoples R China; [Li, Zhiqiang] Shandong Univ, CORE, Qingdao 266237, Shandong, Peoples R China in 2019, Cited 48. COA of Formula: C14H10O. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8

Sulfate radical (SO4 center dot(-)) and hydroxyl radical (center dot OH) generated from persulfate or peroxymonosulfate in AOPs have been widely used in contaminant degradation. Anthracene (ANT) can be decomposed by SO4 center dot(-) and center dot OH. The processes of ANT decomposition were investigated using theoretical calculations in this paper. The initiation reactions of ANT, anthrone, anthraquinone (ATQ) and 1-hydroxylanthraquinone (1-hATQ) by two radicals are studied. The highest free energy barriers of initiation reactions are 22.30 kcal mol(-1) in ATQ + SO4 center dot(-) reaction and 6.84 kcal mol(-1) in ATQ + center dot OH reaction. Comparing the rate constants of initiation reaction through the two radicals at 273-373 K, it can be concluded that SO4 center dot(-) and center dot OH both play important roles on the initiation of ANT and anthrone at lower pH. For ATQ and 1-hATQ, center dot OH is more important than SO4 center dot(-) in the initiation process, which indicates that the indirect influence of SO4 center dot(-) are more significant in the degradation processes of ATQ and 1-hATQ. This study provides theoretical confirmations for the mechanisms of reactions of ANT with SO4 center dot(-) and center dot OH, and evaluates the importance of SO4 center dot(-) and center dot OH according to the reaction rates. The work can give more insight into the degradation of PAHs by radicals.

About Anthrone, If you have any questions, you can contact Liu, W; Lv, GC; Sun, XM; He, L; Zhang, CX; Li, ZQ or concate me.. COA of Formula: C14H10O

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Krapf, MK; Gallus, J; Spindler, A; Wiese, M in [Krapf, Michael K.; Gallus, Jennifer; Spindler, Anna; Wiese, Michael] Univ Bonn, Inst Pharmaceut, Immenburg 4, D-53121 Bonn, Germany published Synthesis and biological evaluation of quinazoline derivatives – A SAR study of novel inhibitors of ABCG2 in 2019, Cited 51. Product Details of 88-68-6. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6.

Multidrug resistance (MDR) is a major obstacle for effective chemotherapeutic treatment of cancer frequently leading to failure of the therapy. MDR is often associated with the overexpression of ABC transport proteins like ABCB1 or ABCG2 which efflux harmful substances out of cells at the cost of ATP hydrolysis. One way to overcome MDR is to apply potent inhibitors of ABC transporters to restore the sensitivity of the cells toward cytostatic agents. This study focusses on the synthesis and evaluation of novel 2,4-disubstituted quinazoline derivatives regarding the structure-activity-relationship (SAR), their ability to reverse MDR and their mode of interaction with ABCG2. Hence, the inhibitory potency and selectivity toward ABCG2 was determined. Moreover, the intrinsic cytotoxicity and the reversal of MDR were investigated. Interaction type studies with the substrate Hoechst 33342 and conformational analyses of ABCG2 with 5D3 monoclonal antibody were performed for a better understanding of the underlying mechanisms. In our study we could further enhance the inhibitory effect against ABCG2 (compound 31, IC50: 55 nM) and identify the structural features that are crucial for inhibitory potency, the impact on transport activity and binding to the protein. (C) 2018 Elsevier Masson SAS. All rights reserved,

Product Details of 88-68-6. About 2-Aminobenzamide, If you have any questions, you can contact Krapf, MK; Gallus, J; Spindler, A; Wiese, M or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

HPLC of Formula: C7H8N2O. Authors Yang, L; Hou, HQ; Li, L; Wang, J; Zhou, SY; Wu, M; Ke, F in ROYAL SOC CHEMISTRY published article about in [Yang, Li; Li, Lan; Ke, Fang] Yibin Univ, Coll Chem & Chem Engn, Yibin, Sichuan, Peoples R China; [Hou, Huiqing; Wang, Jin; Zhou, Sunying; Wu, Mei; Ke, Fang] Fujian Med Univ, Fuzhou, Fujian, Peoples R China in 2021, Cited 64. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6

An efficient and practical electrochemically catalyzed transition metal-free process for the synthesis of substituted quinazolinones from simple and readily available o-aminobenzonitriles and aldehydes in water has been accomplished. I-2/base and water play an unprecedented and vital role in the reaction. By electrochemically catalysed hydrolysis of o-aminobenzonitriles, the synthesis of quinazolinones with benzaldehyde was first proposed. The synthetic utility of this method was demonstrated by gram-scale operation, as well as the preparation of bioactive N-(2,5-dichlorophenyl)-6-(2,2,2-trifluoroethoxy) pteridin-4-amine, which enables straightforward, practical and environmentally benign quinazolinone formation.

About 2-Aminobenzamide, If you have any questions, you can contact Yang, L; Hou, HQ; Li, L; Wang, J; Zhou, SY; Wu, M; Ke, F or concate me.. HPLC of Formula: C7H8N2O

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Authors Khoshdel, MA; Shirini, F; Langarudi, MSN; Zabihzadeh, M; Biglari, M in ROYAL SOC CHEMISTRY published article about in [Alipour Khoshdel, Meysam; Shirini, Farhad; Nikoo Langarudi, Mohaddeseh Safarpoor; Zabihzadeh, Mehdi; Biglari, Mohammad] Univ Guilan, Dept Chem, Coll Sci, Rasht 4133519141, Iran in 2021.0, Cited 44.0. Computed Properties of C7H5NO3. The Name is 3-Nitrobenzaldehyde. Through research, I have a further understanding and discovery of 99-61-6

The development of environmentally benign synthetic protocols has attracted increasing attention in recent organic syntheses. As a part of this concept, our group synthesized a new natural deep eutectic solvent (NADES) by using gabapentin and choline chloride. After characterization by FTIR, H-1 and C-13 NMR, and mass spectra, the prepared NADES was utilized as an efficacious catalyst for the synthesis of 4H-pyran scaffolds such as tetrahydrobenzo[b]pyran and pyrano[2,3-d]pyrimidinone(thione) derivatives. The use of inexpensive and bio-compatible reagents for the synthesis of the catalyst, a simple and green procedure for the preparation of the catalyst and products, short reaction times, high yields of the products, and applicability to large-scale synthesis are the prominent features of this protocol. Also, the catalyst could be recovered easily and recycled up to five times without significant loss of its catalytic activity.

About 3-Nitrobenzaldehyde, If you have any questions, you can contact Khoshdel, MA; Shirini, F; Langarudi, MSN; Zabihzadeh, M; Biglari, M or concate me.. Computed Properties of C7H5NO3

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

I found the field of Chemistry; Engineering; Polymer Science very interesting. Saw the article Preparation and photochemical properties of PEG based alpha-hydroxyalkylphenone photoinitiator published in 2021.0. Application In Synthesis of Benzophenone, Reprint Addresses Wang, JX (corresponding author), Hebei Univ Technol, Sch Chem Engn & Technol, 8 Guang Rong Dao, Tianjin 300130, Peoples R China.. The CAS is 119-61-9. Through research, I have a further understanding and discovery of Benzophenone

A novel emulsified photoinitiator (named as OP10-IPDI-2959) was prepared by the reaction of isophorone diisocyanate (IPDI) with 2-hydroxy-4?-(2-hydroxyethoxy)-2-methylpropiophenone (Ir-2959) and nonylphenol polyoxyethylene ether (OP-10). The structure of OP10-IPDI-2959 was characterized by FT-IR, 1H NMR, UV?vis and high-resolution mass spectrometry. The photochemical behavior of OP10-IPDI-2959 was investigated through the photolysis and polymerization of neopentyl glycol diacrylate (NPGDA), mixture of epoxy acrylate resin and 1,6-hexanediol diacrylate (HDDA). Under irradiation of UV light, the OP10-IPDI-2959 has similar photochemical properties with the Ir-2959. Combined with benzophenone, the photoinitiated rate of OP10-IPDI-2959 is higher than that of Ir-2959. The polyoxyethylene fragment of OP10-IPDI-2959 is not only an alternative to toxic amine as hydrogen donor, but also a hydrophilic unit for interface between oil and water. The OP10-IPDI-2959 can effectively emulsify the epoxy acrylate resin and 1,6-hexanediol diacrylate mixture to form low viscosity emulsion. Compared with Ir-2959, OP10-IPDI-2959 has good photoinitiation activity, lower migration and good water emulsification performance.

About Benzophenone, If you have any questions, you can contact Huo, S; Zhou, HY; Wang, JX or concate me.. Application In Synthesis of Benzophenone

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

I found the field of Radiology, Nuclear Medicine & Medical Imaging very interesting. Saw the article Risk factors for nonvisualization of the sentinel lymph node on lymphoscintigraphy in breast cancer patients published in 2021. Safety of 4-Methoxybenzyl acetate, Reprint Addresses Chahid, Y (corresponding author), Univ Amsterdam, Amsterdam Univ Med Ctr, Dept Radiol & Nucl Med, Amsterdam, Netherlands.; Chahid, Y (corresponding author), Univ Amsterdam, Amsterdam Univ Med Ctr, Dept Clin Pharm, Amsterdam, Netherlands.. The CAS is 104-21-2. Through research, I have a further understanding and discovery of 4-Methoxybenzyl acetate

Background Accurate sentinel lymph node (SLN) staging is essential for both prognosis and treatment in patients with breast cancer. However, the preoperative lymphoscintigraphy may fail to visualize the SLN in some patients. The purpose of this retrospective study was to identify risk factors associated with SLN nonvisualization on lymphoscintigraphy. For this single-center retrospective study, all data of lymphoscintigraphy of SLN procedures from March 2011 to April 2021 were collected and reviewed from the Amsterdam UMC database. Results A total of 1886 SLN procedures were included in this study. The SLN nonvisualization rate was 25.1% on lymphoscintigraphy at 4 h post-injection. The SLN nonvisualization rate decreased to 9.4% after reinjection. Multivariable analysis showed that age >= 70 years (P < 0.001; OR: 2.27; 95% CI: 1.46-3.53), BMI >= 30 kg/m(2) (P = 0.031; OR: 1.48; 95% CI: 1.04-2.12) and nonpalpable tumors (P = 0.004; OR: 1.54; 95% CI: 1.15-2.07) were independent predictors of SLN nonvisualization. Tumor location, brand of radiopharmaceutical, injected dose and volume, experience of preparer and administrator were not associated with SLN nonvisualization. None of the patient, tumor or tracer characteristics were associated with SLN nonvisualization after radiotracer reinjection. Conclusions This study shows that risk factors for SLN nonvisualization in breast cancer patients during preoperative lymphoscintigraphy are age >= 70 years, BMI >= 30 kg/m(2) and nonpalpable tumors. Our results support the notion that SLN lymphoscintigraphy is a very robust technique that does not depend on the experience of the preparer or administrator of the radiotracer.

Safety of 4-Methoxybenzyl acetate. About 4-Methoxybenzyl acetate, If you have any questions, you can contact Chahid, Y; Qiu, XB; van de Garde, EMW; Verberne, HJ; Booij, J or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Product Details of 99-61-6. I found the field of Chemistry very interesting. Saw the article HFIP-mediated 2-aza-Cope rearrangement: metal-free synthesis of alpha-substituted homoallylamines at ambient temperature published in 2021.0, Reprint Addresses Tehrani, KA (corresponding author), Univ Antwerp, Dept Chem, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.. The CAS is 99-61-6. Through research, I have a further understanding and discovery of 3-Nitrobenzaldehyde.

An efficient metal-free strategy for the synthesis of alpha-substituted homoallylamine derivatives has been developed via a 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP)-promoted 2-aza-Cope rearrangement of aldimines, generated in situ by condensation of aldehydes with easily accessible 1,1-diphenylhomoallylamines. This reaction provides rapid access to alpha-substituted homoallylamines with excellent functional group tolerance and yields. The reaction takes place at room temperature and no chromatographic purification is required for product isolation. The synthetic utility of the current method is further demonstrated by the transformation of the obtained benzophenone ketimines into N-unprotected homoallylamines, an alpha-amino alcohol and an alpha-amino amide.

About 3-Nitrobenzaldehyde, If you have any questions, you can contact Gadde, K; Maes, BUW; Tehrani, KA or concate me.. Product Details of 99-61-6

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

SDS of cas: 64-10-8. Martini, G; Cardone, C; Vitiello, PP; Belli, V; Napolitano, S; Troiani, T; Ciardiello, D; Della Corte, CM; Morgillo, F; Matrone, N; Sforza, V; Papaccio, G; Desiderio, V; Paul, MC; Moreno-Viedma, V; Normanno, N; Rachiglio, AM; Tirino, V; Maiello, E; Latiano, TP; Rizzi, D; Signoriello, G; Sibilia, M; Ciardiello, F; Martinelli, E in [Martini, Giulia; Cardone, Claudia; Vitiello, Pietro Paolo; Belli, Valentina; Napolitano, Stefania; Troiani, Teresa; Ciardiello, Davide; Della Corte, Carminia Maria; Morgillo, Floriana; Matrone, Nunzia; Ciardiello, Fortunato; Martinelli, Erika] Univ Campania L Vanvitelli, Med Oncol, Dept Precis Med, Via Pansini 5, I-80131 Naples, Italy; [Sforza, Vincenzo] Fdn Pascale, IRCCS, Ist Nazl Tumori, Dept Clin Expt Thorac Oncol, Naples, Italy; [Papaccio, Gianpaolo; Desiderio, Vincenzo; Tirino, Virginia] Univ Campania Luigi Vanvitelli Napoli, Dept Expt Med, Naples, Italy; [Paul, Mariel C.; Moreno-Viedma, Veronica; Sibilia, Maria] Med Univ Vienna, Comprehens Canc Ctr, Dept Med 1, Inst Canc Res, Borschkegasse 8a, Vienna, Austria; [Normanno, Nicola; Rachiglio, Anna Maria] Fdn Pascale, IRCCS, Ist Nazl Tumori, Cell Biol & Biotherapy Unit, Naples, Italy; [Maiello, Evaristo; Latiano, Tiziana Pia; Rizzi, Daniele] Hosp Casa Sollievo Della Sofferenza San Giovanni, Med Oncol, San Giovanni Rotondo, Italy; [Signoriello, Giuseppe] Univ Campania L Vanvitelli, Biostat, Dipartimento Salute Mentale & Fis & Med Prevent, Naples, Italy published EPHA2 Is a Predictive Biomarker of Resistance and a Potential Therapeutic Target for Improving Antiepidermal Growth Factor Receptor Therapy in Colorectal Cancer in 2019.0, Cited 24.0. The Name is 1-Phenylurea. Through research, I have a further understanding and discovery of 64-10-8.

The EPHA2 tyrosine kinase receptor is implicated in tumor progression and targeted therapies resistance. We evaluated EPHA2 as a potential resistance marker to the antiepidermal growth factor receptor (EGFR) monoclonal antibody cetuximab in colorectal cancer. We studied activation of EPHA2 in a panel of human colorectal cancer cell lines sensitive or resistant to anti-EGFR drugs. The in vitro and in vivo effects of ALW-II-41-27 (an EPHA2 inhibitor) and/or cetuximab treatment were tested. Fonnalin-fixed paraffin-embedded tumor specimens from 82 RAS wild-type (WV) metastatic colorectal cancer patients treated with FOLFIRI + cetuximab as first-line therapy in the CAPRI-COIM trial were assessed for EPHA2 expression by immunohistochemistry and correlated with treatment efficacy. EPHA2 was differentially activated in colorectal cancer cell lines. Combined treatment with ALW-II-41-27 plus cetuximab reverted primary and acquired resistance to cetuximab, causing cell growth inhibition, inducing apoptosis and cell-cycle G1-G2 arrest. In tumor xenograft models, upon progression to cetuximab, ALW-II-41-27 addition significantly inhibited tumor growth. EPHA2 protein expression was detected in 55 of 82 tumor samples, frequently expressed in less-differentiated and left-sided tumors. High levels of EPHA2 significantly correlated with worse progression-free survival [8.6 months; confidence interval (CI) 95%, 6.4-10.8; vs. 12.3 months; CI 95%, 10.4-14,2; P = 0.03] and with increased progression rate (29% vs. 9%, P = 0.02). A specific EPHA2 inhibitor reverts in vitro and in vivo primary and acquired resistance to anti-ECFR therapy. EPHA2 levels are significantly associated with worse outcome in patients treated with FOLFIRI + cetuximab. These results highlight EPHA2 as a potential therapeutic target in metastatic colorectal cancer.

About 1-Phenylurea, If you have any questions, you can contact Martini, G; Cardone, C; Vitiello, PP; Belli, V; Napolitano, S; Troiani, T; Ciardiello, D; Della Corte, CM; Morgillo, F; Matrone, N; Sforza, V; Papaccio, G; Desiderio, V; Paul, MC; Moreno-Viedma, V; Normanno, N; Rachiglio, AM; Tirino, V; Maiello, E; Latiano, TP; Rizzi, D; Signoriello, G; Sibilia, M; Ciardiello, F; Martinelli, E or concate me.. SDS of cas: 64-10-8

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem