• White light emission in water through admixtures of donor-?-acceptor siblings: experiment and simulation 

  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 ...
• A "Turn-On" Michler's Ketone-benzimidazole fluorescent probe for selective detection of serum albumins 

  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. ...
• High MDC1 expression in cervical cancer cells can affect the chemo- and radiotherapeutic response as its depletion leads to increased cell death 

  Singh, Neeru; Bhakuni, Rashmi; Kirubakaran, Sivapriya (AACR, 2018-07)

  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 ...
• Stereodivergent synthesis of chiral paraconic acids via dynamic kinetic resolution of 3-Acylsuccinimides 

  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 ...
• Substitution of Zinc(II) in Nickel(II) Oxide as Proficient Copper-Free Catalysts for Selective CO2 Electroreduction 

  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 ...
• Graphene oxide nanocell for impairing topoisomerase and DNA in cancer cells 

  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 ...
• In search of the representative pharmacophore hypotheses of the enzymatic proteome of Plasmodium falciparum: a multicomplex-based approach 

  Manhas, Anu; Lone, Mohsin Y.; Jha, Prakash C. (Springer, 2019-05)

  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 ...
• Synthetic aspects of carbazole containing porphyrins and porphyrinoids 

  Das, Sudipta; Gupta, Iti (World Scientific Publishing, 2019-04)

  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 ...
• Identification of natural compound inhibitors against PfDXR: a hybrid structure?based molecular modeling approach and molecular dynamics simulation studies 

  Manhas, Anu; Patel, Dhaval; Lone, Mohsin Y; Jha, Prakash C (Wiley, 2019-04)

  In the present contribution, multicomplex?based pharmacophore studies were carried out on the structural proteome of Plasmodium falciparum 1?deoxy?D?xylulose?5?phosphate reductoisomerase. Among the constructed models, a ...
• Inclusion of peripheral basic groups activates dormant cobalt-based molecular complex for catalytic H2 evolution in water 

  Khandelwal, Shikha; Zamader, Afridi; Nagayach, Vivek; Dolui, Dependu; Mir, Ab Qayoom; Dutta, Arnab (American Chemical Society, 2019-01)

  The protein scaffold plays a key role during the enzymatic catalysis for metalloenzymes. Here we have rationally designed an enzyme-inspired outer coordination sphere in the form of protic functionalities, such as natural ...
• Light-induced Chemistry of Organic and Biomolecules - Recent Advances 

  Singh, Anil K.; Kanvah, Sriram (2019-02)
• Supramolecular self-assembly of triazine-based small molecule: targeting endoplasmic reticulum in cancer cells 

  Ghosh, Chandramouli; Nandi, Aditi; Basu, Sudipta (Royal Society of Chemistry, 2019-01)

  The endoplasmic reticulum (ER) is one of the most important organelles controlling myriads of cellular functions including protein folding/misfolding/unfolding, calcium ion homeostasis and lipid biosynthesis. Subsequently, ...
• Phosphorescent rhenium-dipyrrinates: efficient photosensitizers for singlet oxygen generation 

  Manav, Neha; Kesavan, Praseetha E.; Ishida, Masatoshi; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki; Gupta, Iti (Royal Society of Chemistry, 2019-01)

  A series of rhenium(I) dipyrrinato complexes (Re1�Re8) have been prepared and characterized; their crystal structures, phosphorescence and singlet oxygen generation studies are reported. The aromatic substituents, such as ...
• Identification of selective inhibitors of Helicobacter pylori IMPDH as a targeted therapy for the infection 

  Juvale, Kapil; Purushothaman, Gayathri; Singh, Vijay; Shaik, Althaf; Ravi, Srimadhavi; Thiruvenkatam, Vijay; Kirubakaran, Sivapriya (Nnature, 2019-01)

  Helicobacter pylori�(H. pylori), the major cause of several gastric disorders has been recognied as a type I carcinogen. By virtue of resistance developed by�H. pylori�strains, currently used antibiotic based treatments ...
• Insights into supramolecular assembly formation of diethyl aryl amino methylene malonate (DAM) derivatives assisted via non-covalent interactions 

  Shaik, Althaf; Angira, Deekshi; Thiruvenkatam, Vijay (Elsevier, 2019-05)

  The crystal structures of four derivatives of diethyl 2-(((aryl)amino)methylene)malonate (DAM) have been studied by single crystal X-ray diffraction. The molecular structures of all the four derivatives were found to be ...
• Inhibitors of Inosine 5´-monophosphate dehydrogenase as emerging new age antimicrobial agents 

  Juvale, Kapil; Shaik, Althaf; Kirubakaran, Sivapriya (Royal Society of Chemistry, 2019-05)

  Inosine 5´-monophosphate dehydrogenase (IMPDH) is a vital enzyme involved in the de-novo synthesis of guanine nucleotides. IMPDH catalyses a crucial step of converting IMP into XMP that is further converted into GMP. ...
• Hydrazide‐hydrazone small molecules as AIEgens: illuminating mitochondria in Cancer cells 

  Patil, Sohan; Pandey, Shalini; Singh, Amit; Radhakrishna, Mithun; Basu, Sudipta (Wiley, 2019-04)

  Aggregation induced emission probes (AIEgens) have gained lots of attention as interesting tools for ample biomedical applications especially bio-imaging due to their brightness and photo-stability. Numerous AIEgens have ...
• Synthesis and studies of phenothiazine based AIE fluorogens 

  Manav, Neha; Verma, Vani; Pandey, Vijayalakshmi; Rather, Hilal; Vasita, Rajesh; Gupta, Iti (NISCAIR-CSIR, 2019-02)

  Phenothiazine based AIE fluorogens linked to phenyl and tetraphenylethylene groups are reported. The N-butylphenothiazine and N-phenylphenothiazine have been substituted at 3,7-positions with phenyl or tetraphenylethylene ...
• Adsorption of DNA bases on two?dimensional boron sheets 

  Sihag, Amita; Mallajosyula, Sairam Swaroop (Wiley, 2019-02)

  Utilizing two?dimensional (2D) sheets for DNA fingerprinting applications is an active field of research, with extensive research being carried out on graphene, h?BN and transition metal dichalcogenides. In this theoretical ...
• Chemical method for evaluating catalytic turnover frequencies (TOF) of moderate to slow H2 oxidation electrocatalysts 

  Arnab Dutta; Wendy J. Shaw (American Chemical Society, 2019-06)

  Hydrogen has emerged as a long-term option for storing energy from renewable resources and has led the scientific community to develop enzyme-inspired catalysts for hydrogen oxidation and production. One of the most ...

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