Yoshino, T. et al. published their research in Annals of Oncology in 2020 |CAS: 65-71-4

The Article related to metastatic colorectal cancer neutropenia survival trifluridine tipiracil, ftd/tpi, j003, recourse, chemotherapy-induced neutropenia, metastatic colorectal cancer, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Recommanded Product: 65-71-4

On January 31, 2020, Yoshino, T.; Cleary, J. M.; Van Cutsem, E.; Mayer, R. J.; Ohtsu, A.; Shinozaki, E.; Falcone, A.; Yamazaki, K.; Nishina, T.; Garcia-Carbonero, R.; Komatsu, Y.; Baba, H.; Argiles, G.; Tsuji, A.; Sobrero, A.; Yamaguchi, K.; Peeters, M.; Muro, K.; Zaniboni, A.; Sugimoto, N.; Shimada, Y.; Tsuji, Y.; Hochster, H. S.; Moriwaki, T.; Tran, B.; Esaki, T.; Hamada, C.; Tanase, T.; Benedetti, F.; Makris, L.; Yamashita, F.; Lenz, H.-J. published an article.Recommanded Product: 65-71-4 The title of the article was Neutropenia and survival outcomes in metastatic colorectal cancer patients treated with trifluridine/tipiracil in the RECOURSE and J003 trials. And the article contained the following:

The phase II J003 (N = 169) and phase III RECOURSE (N = 800) trials demonstrated a significant improvement in survival with trifluridine (FTD)/tipiracil (TPI) vs. placebo in patients with refractory metastatic colorectal cancer. This post hoc anal. investigated pharmacokinetic data of FTD/TPI exposure and pharmacodynamic markers, such as chemotherapy-induced neutropenia (CIN) and clin. outcomes. A total of 210 patients from RECOURSE were enrolled in this substudy. A limited sampling approach was used, with three pharmacokinetic samples drawn on day 12 of cycle 1. Patients were categorized as being above or below the median area under the plasma concentration-time curve (AUC) for FTD and TPI. We conducted a post hoc anal. using the entire RECOURSE population to determine the correlations between CIN and clin. outcome. We then carried out a similar anal. on the J003 trial to validate the results. In the RECOURSE subset, patients in the high FTD AUC group had a significantly increased CIN risk. Analyses of the entire population demonstrated that FTD/TPI-treated patients with CIN of any grade in cycles 1 and 2 had significantly longer median overall survival (OS) and progression-free survival (PFS) than patients who did not develop CIN and patients in the placebo group. Patients who required an FTD/TPI treatment delay had increased OS and PFS vs. those in the placebo group and those who did not develop CIN. Similar results were obtained in the J003 cohort. In RECOURSE, patients with higher FTD drug exposure had an increased CIN risk. FTD/TPI-treated patients who developed CIN had improved OS and PFS vs. those in the placebo group and those who did not develop CIN. Similar findings were reported in the J003 cohort, thus validating the RECOURSE results. The occurrence of CIN may be a useful predictor of treatment outcomes for FTD/TPI-treated patients.NCT01607957 (RECOURSE).JapicCTI-090880 (J003). The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Recommanded Product: 65-71-4

The Article related to metastatic colorectal cancer neutropenia survival trifluridine tipiracil, ftd/tpi, j003, recourse, chemotherapy-induced neutropenia, metastatic colorectal cancer, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Recommanded Product: 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Fujii, Hironori et al. published their research in Oncologist in 2020 |CAS: 65-71-4

The Article related to bevacizumab tas102 anticancer agent metastatic colorectal cancer, bevacizumab, colorectal neoplasms, drug-related adverse reactions, survival, trifluridine, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Application In Synthesis of 5-Methylpyrimidine-2,4(1H,3H)-dione

Fujii, Hironori; Matsuhashi, Nobuhisa; Kitahora, Mika; Takahashi, Takao; Hirose, Chiemi; Iihara, Hirotoshi; Yamada, Yunami; Watanabe, Daichi; Ishihara, Takuma; Suzuki, Akio; Yoshida, Kazuhiro published an article in 2020, the title of the article was Bevacizumab in Combination with TAS-102 Improves Clinical Outcomes in Patients with Refractory Metastatic Colorectal Cancer: A Retrospective Study.Application In Synthesis of 5-Methylpyrimidine-2,4(1H,3H)-dione And the article contains the following content:

TAS-102 is effective for treating patients with metastatic colorectal cancer (mCRC). This study determined whether combining bevacizumab (Bmab) with TAS-102 improves clin. outcomes in refractory mCRC. We retrospectively analyzed data from Japanese patients with refractory mCRC who received TAS-102 (35 mg/m2, twice a day) with (T-B group) or without Bmab (TAS-102 monotherapy; T group) between July 2014 and Dec. 2018. The primary endpoint was median overall survival (OS), and secondary endpoints were median time to treatment failure, overall response rate, and the incidence of adverse events. Clin. outcomes were compared using propensity score matched anal. Data from 57 patients were analyzed (T-B group: 21 patients, T group: 36 patients). Median OS was significantly longer in the T-B group than the T group (14.4 mo vs. 4.5 mo, p < .001). Cox proportional hazard anal. showed that combination therapy with Bmab was significantly correlated with OS. Propensity score matched anal. confirmed that the median OS was significantly longer in the T-B group than the T group (14.4 mo vs. 6.1 mo, p = .006) and that there was a significant correlation between Bmab and OS. The incidence of hypertension (grade ≥2) as an adverse event was significantly higher in the T-B group than the T group (23.8% vs. 0.0%, p = .005), whereas other adverse events were comparable between the two groups. Treatment with Bmab in combination with TAS-102 is significantly associated with improved clin. outcomes in patients with mCRC refractory to standard therapies. Combining bevacizumab (Bmab) with TAS-102 significantly improved overall survival and several prognostic indicators in patients with metastatic colorectal cancer (mCRC) refractory to standard therapies, with manageable toxicities. Treatment with Bmab in combination with TAS-102 is significantly associated with improved clin. outcomes in patients with mCRC. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Application In Synthesis of 5-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to bevacizumab tas102 anticancer agent metastatic colorectal cancer, bevacizumab, colorectal neoplasms, drug-related adverse reactions, survival, trifluridine, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Application In Synthesis of 5-Methylpyrimidine-2,4(1H,3H)-dione

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Moriwaki, Toshikazu et al. published their research in International Journal of Clinical Oncology in 2020 |CAS: 65-71-4

The Article related to colorectal cancer prognosis regorafenib trifluridine tipiracil, colorectal cancer, prognostic factor, regorafenib, tas-102, trifluridine/tipiracil, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Recommanded Product: 5-Methylpyrimidine-2,4(1H,3H)-dione

On April 30, 2020, Moriwaki, Toshikazu; Fukuoka, Shota; Masuishi, Toshiki; Takashima, Atsuo; Kumekawa, Yosuke; Kajiwara, Takeshi; Yamazaki, Kentaro; Esaki, Taito; Makiyama, Akitaka; Denda, Tadamichi; Hatachi, Yukimasa; Suto, Takeshi; Sugimoto, Naotoshi; Enomoto, Masanobu; Ishikawa, Toshiaki; Kashiwada, Tomomi; Oki, Eiji; Komatsu, Yoshito; Tsuji, Akihito; Tsuchihashi, Kenji; Sakai, Daisuke; Ueno, Hideki; Tamura, Takao; Yamashita, Kimihiro; Shimada, Yasuhiro published an article.Recommanded Product: 5-Methylpyrimidine-2,4(1H,3H)-dione The title of the article was Prognostic scores for evaluating the survival benefit of regorafenib or trifluridine/tipiracil in patients with metastatic colorectal cancer: an exploratory analysis of the REGOTAS study. And the article contained the following:

This study aimed to develop a prognostic scoring system for evaluating the overall survival (OS) benefit. Methods: Patients included in the REGOTAS study, which comprised 489 patients (regorafenib group: 199; FTD/TPI group: 290 patients), were evaluated. OS was analyzed using multivariate Cox proportional model. The prognostic score was calculated using the worst four individual factors weighted by hazard ratio, and the total scores were categorized as low-, moderate-, and high-OS benefit. Results: The worst four factors in the regorafenib group were AST > 40 IU/dL (point, + 3), CRP ≥ 1.0 mg/dL (+ 2), number of metastatic organ site ≥ 3 (+ 2), and duration from initiation of 1st-line chemotherapy < 18 mo (+ 2), while they were AST (+ 2), CRP (+ 2), CA19-9 > 37.0 U/mL (+ 2), and ECOG PS ≥ 1 (+ 2) in the FTD/TPI group. These corresponded to a total prognostic score of > 5, 2-4, and 0 points in the regorafenib group and 8, 2-6, and 0 points in the FTD/TPI group. The median OS in the low, moderate, and high OS benefit group was 3.3 (95% CI 3.0-3.7), 8.1 (95% CI 6.4-9.7), and 12.6 mo (95% CI 10.6-14.6) in the regorafenib group and 2.8 (95% CI 2.0-3.5), 7.5 (95% CI 6.6-8.3), and 15.4 mo (95% CI 9.7-21.2) in the FTD/TPI group. Conclusion: These prognostic scores are useful for identifying patients with mCRC who will obtain survival benefits from these drugs. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Recommanded Product: 5-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to colorectal cancer prognosis regorafenib trifluridine tipiracil, colorectal cancer, prognostic factor, regorafenib, tas-102, trifluridine/tipiracil, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Recommanded Product: 5-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Tabernero, Josep et al. published their research in Gastric Cancer in 2020 |CAS: 65-71-4

The Article related to trifluridine tipiracil anticancer agent gastric cancer metastasis, gastric cancer, health-related quality of life, phase 3, trifluridine/tipiracil, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Electric Literature of 65-71-4

On July 31, 2020, Tabernero, Josep; Alsina, Maria; Shitara, Kohei; Doi, Toshihiko; Dvorkin, Mikhail; Mansoor, Wasat; Arkenau, Hendrik-Tobias; Prokharau, Aliaksandr; Ghidini, Michele; Faustino, Catia; Gorbunova, Vera; Zhavrid, Edvard; Nishikawa, Kazuhiro; Ando, Takayuki; Yalcin, Suayib; Van Cutsem, Eric; Sabater, Javier; Skanji, Donia; Leger, Catherine; Amellal, Nadia; Ilson, David H. published an article.Electric Literature of 65-71-4 The title of the article was Health-related quality of life associated with trifluridine/tipiracil in heavily pretreated metastatic gastric cancer: results from TAGS. And the article contained the following:

Abstract: Background: In TAGS, an international, double-blind, phase 3 trial, trifluridine/tipiracil significantly improved overall survival and progression-free survival compared with placebo in heavily pretreated metastatic gastric cancer patients. This paper reports pre-specified quality of life (QoL) outcomes for TAGS. Methods: Patients were randomized 2:1 to trifluridine/tipiracil (35 mg/m2 twice daily on days 1-5 and 8-12 of each 28-day cycle) plus best supportive care (BSC) or placebo plus BSC. QoL was evaluated at baseline and at each treatment cycle, using the EORTC QLQ-C30 and EORTC QLQ-STO22 questionnaires; results were considered valid for anal. only if ≥ 10% of patients completed the questionnaires. Key QoL outcomes were mean changes from baseline and time to deterioration in QoL. A post hoc anal. assessed the association between QoL and time to deterioration of Eastern Cooperative Oncol. Group performance score (ECOG PS) to ≥ 2. Results: Of 507 randomized patients, 496 had baseline QoL data available. The anal. cut-off was 6 cycles for trifluridine/tipiracil and 3 cycles for placebo. In both treatment groups, there were no clin. significant deteriorations in the mean QLQ-C30 Global Health Status (GHS) score, or in most subscale scores. In a sensitivity anal. including death and disease progression as events, there was a trend towards trifluridine/tipiracil reducing the risk of deterioration of QoL scores compared with placebo. Deterioration in the GHS score was associated with deterioration in ECOG PS. Conclusion: QoL was maintained in TAGS, and there was a trend towards trifluridine/tipiracil reducing the risk of QoL deterioration compared with placebo. Trial registration ClinicalTrials.gov number: NCT02500043. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Electric Literature of 65-71-4

The Article related to trifluridine tipiracil anticancer agent gastric cancer metastasis, gastric cancer, health-related quality of life, phase 3, trifluridine/tipiracil, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Electric Literature of 65-71-4

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Shibutani, Masatsune et al. published their research in Anticancer Research in 2020 |CAS: 65-71-4

The Article related to metastatic colorectal cancer bevacizumab trifluridine thymidine phosphorylase inhibitor survival, ftd/tpi, tas-102, bevacizumab, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Computed Properties of 65-71-4

On July 31, 2020, Shibutani, Masatsune; Nagahara, Hisashi; Fukuoka, Tatsunari; Iseki, Yasuhito; Wang, En; Okazaki, Yuki; Kashiwagi, Shinichiro; Maeda, Kiyoshi; Hirakawa, Kosei; Ohira, Masaichi published an article.Computed Properties of 65-71-4 The title of the article was Combining bevacizumab with trifluridine/thymidine phosphorylase inhibitor improves the survival outcomes regardless of the usage history of bevacizumab in front-line treatment of patients with metastatic colorectal cancer. And the article contained the following:

The efficacy of trifluridine/thymidine phosphorylase inhibitor (FTD/TPI) plus bevacizumab as later-line treatment for metastatic colorectal cancer (mCRC) has been demonstrated. However, little is known about the impact of a usage history of bevacizumab in front-line treatment on the clin. benefit of combining bevacizumab with FTD/TPI. A total of 62 patients with mCRC treated with FTD/TPI±bevacizumab was enrolled and assessed for chemotherapeutic efficacy and adverse events. Regardless of the usage history of bevacizumab in front-line treatment, the FTD/TPI plus bevacizumab group had a significantly better progression-free survival rate than the FTD/TPI monotherapy group, and no significant differences in the safety profile were observed between the two groups. Combining bevacizumab with FTD/TPI improves the survival outcomes with manageable toxicity, regardless of the usage history of bevacizumab in front-line treatment, in patients with mCRC. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Computed Properties of 65-71-4

The Article related to metastatic colorectal cancer bevacizumab trifluridine thymidine phosphorylase inhibitor survival, ftd/tpi, tas-102, bevacizumab, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Computed Properties of 65-71-4

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Cardoso, Danon Clemes et al. published their research in Insect Molecular Biology in 2022 |CAS: 65-71-4

The Article related to heterochromatin genome psammophilous mycetophylax formicidae attini attina, base pairs, chromosome, genome evolution, genome size, heterochromatin, Placeholder for records without volume info and other aspects.Related Products of 65-71-4

On June 30, 2022, Cardoso, Danon Clemes; Moura, Mariana Neves; Cristiano, Maykon Passos published an article.Related Products of 65-71-4 The title of the article was Dynamic development of AT -rich heterochromatin has followed diversification and genome expansion of psammophilous Mycetophylax (Formicidae: Attini: Attina). And the article contained the following:

Heterochromatin is an important genome constituent comprised by a high d. of repetitive DNA sequences that mediate chromosome structure and function. The species Mycetophylax morschi currently harbours three cytotypes: 2n = 26, 2n = 28 and 2n = 30 chromosomes. However, Mycetophylax conformis and Mycetophylax simplex harbor 2n = 30 and 2n = 36 chromosomes, resp. None of the cytotypes of M. morschi showed any AT-pos. blocks, whereas the karyotypes of M. conformis and M. simplex revealed AT-rich blocks around the pericentromeric region and on the short arm of several chromosomes. This AT-rich pattern is coincident with the known heterochromatin distribution of psammophilous Mycetophylax, confirming that heterochromatin is AT-rich, in line with the genome size and AT%. Our results demonstrated that genome size among psammophilous Mycetophylax is correlated with the proportion of base pairs, biased to adenine and thymine. Thus, genome size and the proportion of adenine and thymine in the species studied here suggest that the genome changes in psammophilous Mycetophylax are related to the expansion of repetitive DNA in AT-rich heterochromatin. Considering the phylogenetic relationship of psammophilous Mycetophylax, the dynamic development of AT-rich heterochromatin and karyotype repatterning encompasses the diversification of such ants. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Related Products of 65-71-4

The Article related to heterochromatin genome psammophilous mycetophylax formicidae attini attina, base pairs, chromosome, genome evolution, genome size, heterochromatin, Placeholder for records without volume info and other aspects.Related Products of 65-71-4

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Lu, Chen et al. published their research in Nucleic Acids Research in 2021 |CAS: 65-71-4

The Article related to cyclobutane pyrimidine dimer photosensitizer wavelength photosensitization, Placeholder for records without volume info and other aspects.Application of 65-71-4

Lu, Chen; Gutierrez-Bayona, Natalia Eugenia; Taylor, John-Stephen published an article in 2021, the title of the article was The effect of flanking bases on direct and triplet sensitized cyclobutane pyrimidine dimer formation in DNA depends on the dipyrimidine, wavelength and the photosensitizer.Application of 65-71-4 And the article contains the following content:

Cyclobutane pyrimidine dimers (CPDs) are the major products of DNA produced by direct absorption of UV light, and result in C to T mutations linked to human skin cancers. Most recently a new pathway to CPDs in melanocytes has been discovered that has been proposed to arise from a chemisensitized pathway involving a triplet sensitizer that increases mutagenesis by increasing the percentage of C-containing CPDs. To investigate how triplet sensitization may differ from direct UV irradiation, CPD formation was quantified in a 129-mer DNA designed to contain all 64 possible NYYN sequences. CPD formation with UVB light varied about 2-fold between dipyrimidines and 12-fold with flanking sequence and was most frequent at YYYR and least frequent for GYYN sites in accord with a charge transfer quenching mechanism. In contrast, photosensitized CPD formation greatly favored TT over C-containing sites, more so for norfloxacin (NFX) than acetone, in accord with their differing triplet energies. While the sequence dependence for photosensitized TT CPD formation was similar to UVB light, there were significant differences, especially between NFX and acetone that could be largely explained by the ability of NFX to intercalate into DNA. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Application of 65-71-4

The Article related to cyclobutane pyrimidine dimer photosensitizer wavelength photosensitization, Placeholder for records without volume info and other aspects.Application of 65-71-4

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Park, Woojin et al. published their research in Journal of Physical Chemistry Letters in 2021 |CAS: 65-71-4

The Article related to impact dynamic electron correlation long excited state lifetime thymine, General Physical Chemistry: General Theories and other aspects.Category: pyrimidines

On May 13, 2021, Park, Woojin; Lee, Seunghoon; Huix-rotllant, Miquel; Filatov, Michael; Choi, Cheol ho published an article.Category: pyrimidines The title of the article was Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine. And the article contained the following:

Non-radiative relaxation of the photoexcited thymine in the gas phase shows an unusually long excited-state lifetime, and, over the years, a number of models, i.e., S1-trapping, S2-trapping, and S1&S2-trapping, have been put forward to explain its mechanism. Here, we investigate this mechanism using non-adiabatic mol. dynamics (NAMD) simulations in connection with the recently developed mixed-reference spin-flip time-dependent d. functional theory (MRSF-TDDFT) method. We show that the previously predicted S2-trapping model was due to an artifact caused by an insufficient account of the dynamic electron correlation. The current work supports the S1-trapping mechanism with two lifetimes, τ1 = 30 ± 1 fs and τ2 = 6.1 ± 0.035 ps, quant. consistent with the recent time-resolved experiments Upon excitation to the S2 (ππ*) state, thymine undergoes an ultrafast (ca. 30 fs) S2→S1 internal conversion and resides around the min. on the S1 (nOπ*) surface, slowly decaying to the ground state (ca. 6.1 ps). While the S2→S1 internal conversion is mediated by fast bond length alternation distortion, the subsequent S1→S0 occurs through several conical intersections, involving a slow puckering motion. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Category: pyrimidines

The Article related to impact dynamic electron correlation long excited state lifetime thymine, General Physical Chemistry: General Theories and other aspects.Category: pyrimidines

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pomogaev, Vladimir et al. published their research in Journal of Physical Chemistry Letters in 2021 |CAS: 65-71-4

The Article related to dyson orbital electron binding energy excited state response methodol, General Physical Chemistry: General Theories and other aspects.Electric Literature of 65-71-4

On October 14, 2021, Pomogaev, Vladimir; Lee, Seunghoon; Shaik, Sason; Filatov, Michael; Choi, Cheol Ho published an article.Electric Literature of 65-71-4 The title of the article was Exploring Dyson’s Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology. And the article contained the following:

The MO concept is a useful tool, which relates the mol. ground-state energy with the energies (and occupations) of the individual orbitals. However, anal. of the excited states from linear response computations is performed in terms of the initial state MOs or some other forms of orbitals, e.g., natural or natural transition orbitals. Because these orbitals lack the resp. energies, they do not allow developing a consistent orbital picture of the excited states. Herein, we argue that Dyson’s orbitals enable description of the response states compatible with the concepts of MO theory. The Dyson orbitals and their energies obtained by mixed-reference spin-flip time-dependent d. functional theory (MRSF-TDDFT) for the response ground state are remarkably similar to the canonical MOs obtained by the usual DFT calculation For excited states, the Dyson orbitals provide a chem. sensible picture of the electronic transitions, thus bridging the chasm between orbital theory and response computations. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Electric Literature of 65-71-4

The Article related to dyson orbital electron binding energy excited state response methodol, General Physical Chemistry: General Theories and other aspects.Electric Literature of 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Weng, Guorong et al. published their research in Journal of Chemical Physics in 2021 |CAS: 65-71-4

The Article related to excitation mol liquid medium stochastic many body gw method, phenol thymine phenylalanine water solvent excitation stochastic gw method, General Physical Chemistry: General Theories and other aspects.Recommanded Product: 65-71-4

On August 7, 2021, Weng, Guorong; Vlcek, VojtEch published an article.Recommanded Product: 65-71-4 The title of the article was Efficient treatment of molecular excitations in the liquid phase environment via stochastic many-body theory. And the article contained the following:

Accurate predictions of charge excitation energies of mols. in the disordered condensed phase are central to the chem. reactivity, stability, and optoelectronic properties of mols. and critically depend on the specific environment. Herein, we develop a stochastic GW method for calculating these charge excitation energies. The approach employs maximally localized electronic states to define the electronic subspace of a mol. and the rest of the system, both of which are randomly sampled. We test the method on three solute-solvent systems: phenol, thymine, and phenylalanine in water. The results are in excellent agreement with the previous high-level calculations and available exptl. data. The stochastic calculations for supercells containing up to 1000 electrons representing the solvated systems are inexpensive and require ≤1000 central processing unit hrs. We find that the coupling with the environment accounts for ∼ 40% of the total correlation energy. The solvent-to-solute feedback mechanism incorporated in the mol. correlation term causes up to 0.6 eV destabilization of the quasiparticle energy. Simulated photoemission spectra exhibit red shifts, state-degeneracy lifting, and lifetime shortening. Our method provides an efficient approach for an accurate study of excitations of large mols. in realistic condensed phase environments. (c) 2021 American Institute of Physics. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Recommanded Product: 65-71-4

The Article related to excitation mol liquid medium stochastic many body gw method, phenol thymine phenylalanine water solvent excitation stochastic gw method, General Physical Chemistry: General Theories and other aspects.Recommanded Product: 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia