Pandey, Poonam; Aytenfisu, Asaminew H.; MacKerell, Alexander D.; Mallajosyula, Sairam S.(American Chemical Society, 2019-08)
In this work, we report the development of Drude polarizable force-field parameters for the carboxylate and N-acetyl amine derivatives, extending the functionality of existing Drude polarizable carbohydrate force field. ...
Metal nanomaterials have been reported as effective absorbents for the removal of pollutants in the water system, but the release of ions from these nanomaterials brings another concern. Herein, silver nanoclusters (AgNCs) ...
Gangwar, Bhanu P.; Pentyala, Phanikumar; Tiwari, Khushubo; Biswas, Krishanu; Sharma, Sudhanshu; Deshpande, Parag A.(Royal Society of Chemistry, 2019-07)
Dry reforming of methane was carried out over La2?2xRu2xO3 (x = 0.005, 0.01). Substitution of just 0.5 atom% of Ru in La2O3 enhanced the activity by 20 times in terms of conversion when compared to the activity exhibited ...
The facile synthesis of water-soluble mitochondria targeting thioglycosylated BODIPYs is reported. Thioglycosylated BODIPYs were synthesized in 25�26% yields via thioglycosylated dipyrromethanes in four steps. The ...
Co3O4 with spinel structure shows CO oxidation activity at very low temperature under dry conditions. This study aims at finding the origin of the unique catalytic activity of Co species in Co3O4 based oxides. Although, ...
Co3O4 with spinel structure shows CO oxidation activity at very low temperature under dry condition. This study aims at finding the origin of the unique catalytic activity of Co species in Co3O4 based oxides. Although, ...
Kumari, Beena; Singh, Amit; Jana, Palash; Radhakrishna, Mithun; Kanvah, Sriram(Royal Society of Chemistry, 2019-07)
Donor�acceptor ?-conjugated molecules with triphenylamine donor and different acceptor (H, cyano, and pyridinium) units with a double bond spacer were synthesized. These compounds exhibit bathochromic shifts in absorption ...
Jana, Palash; Patel, Nishaben; Mukherjee, Tarushyam; Soppina, Virupakshi; Kanvah, Sriram(Royal Society of Chemistry, 2019-06)
Interaction of Michler's ketone�benzimidazole derivatives (MK-1 and MK-2) with serum albumin proteins was examined by absorption, steady-state, time-resolved fluorescence, molecular docking and circular dichroism methods. ...
Cervical cancer is the third most frequent cancer and common cause of death in women worldwide. The work presented identifies mediator of DNA damage checkpoint 1 (MDC1) as an important molecular target to increase sensitivity ...
Sarkale, Abhijeet M.; Maurya, Vidyasagar; Giri, Sachin; Appayee, Chandrakumar(American Chemical Society, 2019-06)
A direct N-heterocyclic carbene (NHC) catalysis of maleimides with alkyl aldehydes is established for the synthesis of 3-acylsuccinimides. The first dynamic kinetic resolution of 3-acylsuccinimides is accomplished through ...
Nellaiappan, Subramanian; Sharma, Sudhanshu(American Chemical Society, 2019-05)
In the present study, we have synthesized nanocrystalline Zn-substituted-NiO (Ni1�xZnxO, where x = 0.05 and 0.1) catalysts by solution combustion method and utilized for CO2 electroreduction. X-ray diffraction (XRD) and ...
Nandi, Aditi; Ghosh, Chandramouli; Bajpai, Aman; Basu, Sudipta(Royal Society of Chemistry, 2019-05)
DNA Topoisomerases and nuclear DNA are important targets for cancer therapy. However, DNA Topoisomerase inhibitors and DNA damaging drugs demonstrate a large window of side effects in the clinics. Graphene oxide based ...
Drug resistance has made malaria an untreatable disease and therefore intensified the need for the development of new drugs and the identification of potential drug targets. In this pursuit, in silico efforts made in the ...
Porphyrins are tetrapyrrolic aromatic macrocycles and ubiquitous in nature. They are excellent dyes with strong absorption in the visible region (400�700 nm) and they exhibit decent fluorescence in the red region (620�900 ...