Controlling the Excited State and Photosensitizing Property of a 2-(2-Pyridyl)benzo[b]thiophene-Based Cationic Iridium Complex through Simple Chemical Modification

2014 ◽  
Vol 53 (6) ◽  
pp. 2983-2995 ◽  
Author(s):  
Shin-ya Takizawa ◽  
Kengo Shimada ◽  
Yoichi Sato ◽  
Shigeru Murata
Keyword(s):  
Excited State ◽  
Chemical Modification ◽  
Iridium Complex ◽  
Simple Chemical

Simple Chemical Modification Using Perfluoroalkyl‐Substituted Stable Nitrile N ‐Oxide on Bulk Surface via Catalyst‐Free Click Reaction

2020 ◽  
Vol 5 (17) ◽  
pp. 5312-5315 ◽  
Author(s):  
Chen‐Gang Wang ◽  
Sumitra Cheawchan ◽  
Airong Qiagedeer ◽  
Shunsuke Monjiyama ◽  
Satoshi Uchida ◽  
...  
Keyword(s):  
Chemical Modification ◽  
Click Reaction ◽  
Catalyst Free ◽  
Bulk Surface ◽  
Simple Chemical

scholarly journals Charge-transfer states in triazole linked donor–acceptor materials: strong effects of chemical modification and solvation

2017 ◽  
Vol 19 (27) ◽  
pp. 18055-18067 ◽  
Author(s):  
Paul Kautny ◽  
Florian Glöcklhofer ◽  
Thomas Kader ◽  
Jan-Michael Mewes ◽  
Berthold Stöger ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Chemical Modification ◽  
Computational Methods ◽  
Donor Acceptor ◽  
High Level

A new series of push–pull chromophores are synthesized, spectroscopically characterized, and their excited state energies and wavefunctions are elucidated by high-level computational methods.

Photolysis of Br2in CCl4studied by time-resolved X-ray scattering

2010 ◽  
Vol 66 (2) ◽  
pp. 252-260 ◽  
Author(s):  
Qingyu Kong ◽  
Jae Hyuk Lee ◽  
Manuela Lo Russo ◽  
Tae Kyu Kim ◽  
Maciej Lorenc ◽  
...  
Keyword(s):  
Excited State ◽  
Laser Beam ◽  
Temperature Rise ◽  
High Fidelity ◽  
Time Resolved ◽  
Adiabatic Temperature Rise ◽  
X Ray ◽  
X Ray Scattering ◽  
Simple Chemical ◽  
Scattering Study

A time-resolved X-ray solution scattering study of bromine molecules in CCl4is presented as an example of how to track atomic motions in a simple chemical reaction. The structures of the photoproducts are tracked during the recombination process, geminate and non-geminate, from 100 ps to 10 µs after dissociation. The relaxation of hot Br2*molecules heats the solvent. At early times, from 0.1 to 10 ns, an adiabatic temperature rise is observed, which leads to a pressure gradient that forces the sample to expand. The expansion starts after about 10 ns with the laser beam sizes used here. When thermal artefacts are removed by suitable scaling of the transient solvent response, the excited-state solute structures can be obtained with high fidelity. The analysis shows that 30% of Br2*molecules recombine directly along theXpotential, 60% are trapped in theA/A′ state with a lifetime of 5.5 ns, and 10% recombine non-geminatelyviadiffusive motion in about 25 ns. The Br—Br distance distribution in theA/A′ state peaks at 3.0 Å.

Carbon Dots (C-dots) from Cow Manure with Impressive Subcellular Selectivity Tuned by Simple Chemical Modification

2015 ◽  
Vol 21 (13) ◽  
pp. 5055-5060 ◽  
Author(s):  
Cintya D'Angelis do E. S. Barbosa ◽  
José R. Corrêa ◽  
Gisele A. Medeiros ◽  
Gabrielle Barreto ◽  
Kelly G. Magalhães ◽  
...  
Keyword(s):  
Chemical Modification ◽  
Carbon Dots ◽  
Cow Manure ◽  
Simple Chemical

The Development of New Low-Molecular-Weight Factor Xa Inhibitors That Are Potential Anticoagulants

2021 ◽  
Vol 18 ◽  
Author(s):  
Dmitry G. Tovbin ◽  
Dmitry N. Tarasov ◽  
Dmitry V. Malakhov ◽  
Natalia A. Tserkovnikova ◽  
Arseniy V. Aybush ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Chemical Synthesis ◽  
Chemical Modification ◽  
Oral Anticoagulants ◽  
Factor Xa ◽  
Activity Measurement ◽  
Low Molecular Weight ◽  
Structure Based Drug Design ◽  
Nanomolar Concentration ◽  
Simple Chemical

Background: Despite the introduction of direct oral anticoagulants, the search for new oral anticoagulants remains an urgent task. Objective: Using the docking and scoring, based on physical methods, simple chemical rules, methods of synthesis and activity measurement, to develop new low-molecular-weight inhibitors of factor Xa, which are potential anticoagulants. Method: The development of leads was based on chemical synthesis and the structure-based drug design methods. The basic idea is to combine the two approaches: one based on predictive modeling, and the other – on the experimental data. Results: In frame of our concept we developed some nanomolar leads. Further chemical modification improved the inhibition constant by more than one order. Discussion: The method proposed in this paper, as well as other methods, includes virtual screening, screening, chemical synthesis and activity measurement. However, the most time – consuming process in this method (chemical synthesis) was decided to simplify and reduce the cost to the extent that it could be allowed: a very simple chemical reaction was chosen - the formation of an amide bond. Conclusion: In this work, we demonstrated how, using simple chemical rules, based on the structure-based drug design, substances with a nanomolar concentration of activity can be developed. Using our method, we developed substances with nanomolar concentration of activity. Further chemical modification of this leads improved the inhibition constant by more than one order.

scholarly journals Targeting an Artificial Metal Nuclease to DNA by a Simple Chemical Modification and Its Drastic Effect on Catalysis

2019 ◽  
Vol 11 (3) ◽  
pp. 286-291
Author(s):  
Nathalia Castilho ◽  
Philipe Gabriel ◽  
Tiago Pacheco Camargo ◽  
Ademir Neves ◽  
Hernán Terenzi
Keyword(s):  
Chemical Modification ◽  
Simple Chemical ◽  
Drastic Effect

scholarly journals Effect of Disposition of Mannich Antimalarial Agents on Their Pharmacology and Toxicology

1998 ◽  
Vol 42 (9) ◽  
pp. 2410-2416 ◽  
Author(s):  
J. E. Ruscoe ◽  
M. D. Tingle ◽  
P. M. O’Neill ◽  
S. A. Ward ◽  
B. K. Park
Keyword(s):  
Chemical Modification ◽  
Antimalarial Activity ◽  
Repeated Administration ◽  
Metabolic Clearance ◽  
Chemical Modifications ◽  
Drug Induced ◽  
Antimalarial Agents ◽  
Simple Chemical ◽  
Pharmacology And Toxicology

ABSTRACT The use of the antimalarial agent amodiaquine has been curtailed due to drug-induced idiosyncratic reactions. These have been attributed to the formation of a protein-reactive quinoneimine species via oxidation of the 4-aminophenol group. Therefore, the effects of chemical modifications on the disposition of amodiaquine in relation to its metabolism, distribution, and pharmacological activity have been investigated. The inclusion of a group at the C-5′ position of amodiaquine reduced or eliminated bioactivation, as determined by glutathione conjugate formation in vivo. This can be seen in two series of C-5′-substituted compounds: the bis-Mannich antimalarial agents, including cycloquine and pyronaridine, and mono-Mannich antimalarial agents containing a 5′-chlorophenyl group (tebuquine and 5′-ClPAQ). Chemical substitution at the C-5′ position also resulted in compounds which underwent slower elimination (<5% of the dose excreted into bile and urine, compared with 50% for amodiaquine) and increased levels of accumulation in tissue (10% of the dose in the liver at 48 h compared with 1% with amodiaquine). This may be due to an increase in either the lipophilicity or the basicity of the analogs and may reflect the lack of metabolic clearance for these compounds. The alteration in the disposition following the introduction of the C-5′ substituent resulted in an increased duration of antimalarial activity in the mouse compared with that for amodiaquine. While this is desirable in the treatment of malaria, repeated administration for prophylaxis may induce toxicity through accumulation. Therefore, by simple chemical modification it is possible to block the bioactivation of amodiaquine while maintaining and in some cases extending the duration of antimalarial activity.

Engineering the Excited-State Dynamics of 3-Aminoquinoline by Chemical Modification and Temperature Variation

2016 ◽  
Vol 120 (50) ◽  
pp. 12920-12927 ◽  
Author(s):  
Avinash Kumar Singh ◽  
Srijon Ghosh ◽  
Rajesh Kancherla ◽  
Anindya Datta
Keyword(s):  
Excited State ◽  
Chemical Modification ◽  
Temperature Variation ◽  
Excited State Dynamics
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