00793nas a2200217 4500008004100000022001400041245010500055210006900160260000800229300000900237490000700246653003400253653003200287653002100319100002600340700002300366700003100389700002600420700002000446856010900466 2014 eng d a2053-273300aAdditive induced capture of elusive polymorphs of conformationally flexible Sulfonamides/Sulfoesters0 aAdditive induced capture of elusive polymorphs of conformational cMAY aC7760 v7010aadditive induced polymorphism10aintermolecular interactions10aphase transition1 aShaikh, Samir, Rashid1 aGawade, Rupesh, L.1 aChakravarty, Debamitra, K.1 aPuranik, Vedavati, G.1 aGonnade, Rajesh uhttps://library.ncl.res.in/content/additive-induced-capture-elusive-polymorphs-conformationally-flexible00714nas a2200205 4500008004100000022001400041245008700055210006900142260000800211300000900219490000700228653003300235653002200268653002600290100001900316700001500335700002500350700002000375856011300395 2014 eng d a2053-273300aCocrystals/salts of Furosemide : Interesting case of colour cocrystal polymorphism0 aCocrystalssalts of Furosemide Interesting case of colour cocryst cMAY aC7240 v7010aColor cocrystal polymorphism10aSandwich assembly10aStacking interactions1 aSangtani, Ekta1 aJha, Kunal1 aMunshi, Parthapratim1 aGonnade, Rajesh uhttps://library.ncl.res.in/content/cocrystalssalts-furosemide-interesting-case-colour-cocrystal-polymorphism01827nas a2200253 4500008004100000245013400041210006900175260000800244300001600252490000700268520093800275100002201213700002301235700001801258700002001276700002101296700001801317700002101335700002501356700002101381700002101402700002101423856012901444 2016 eng d00aUltrahydrophobic fluorous metal-organic framework derived recyclable composite as apromising platform to tackle marine oil spills0 aUltrahydrophobic fluorous metalorganic framework derived recycla cJUL a10937-109430 v223 aDerived from a strategically chosen hexafluorinated dicarboxylate linker aimed at the designed synthesis of a superhydrophobic metal-organic framework (MOF), the fluorine-rich nanospace of a water-stable MOF (UHMOF-100) exhibits excellent water-repellent features. It registered the highest water contact angle (approximate to 176 degrees) in the MOF domain, marking the first example of an ultrahydrophobic MOF. Various experimental and theoretical studies reinforce its distinc-tive water-repellent characteristics, and the conjugation of superoleophilicity and unparalleled hydrophobicity of a MOF material has been coherently exploited to achieve real-time oil/water separation in recyclable membrane form, with significant absorption capacity performance. This is also the first report of an oil/water separating fluorinated ultrahydrophobic MOF-based membrane material, with potential promise for tackling marine oil spillages.1 aMukherjee, Soumya1 aKansara, Ankit, M.1 aSaha, Debasis1 aGonnade, Rajesh1 aMullangi, Dinesh1 aManna, Biplab1 aDesai, Aamod, V.1 aThorat, Shridhar, H.1 aSingh, Puyam, S.1 aMukherjee, Arnab1 aGhosh, Sujit, K. uhttps://library.ncl.res.in/content/ultrahydrophobic-fluorous-metal-organic-framework-derived-recyclable-composite-apromising02921nas a2200409 4500008004100000022001400041245010200055210006900157260000800226490000900234520164900243653004501892653001801937653002101955653001601976653002301992653001102015653001602026653000802042653003002050653002102080653001902101653001902120653001602139653001202155100001602167700002202183700002002205700002602225700002702251700002002278700001702298700001802315700002102333700002702354856013002381 2017 eng d a0022-286000aBinding selectivity of vitamin K3 based chemosensors towards nickel(II) and copper(II) metal ions0 aBinding selectivity of vitamin K3 based chemosensors towards nic cSEP0 v11433 a

The vitamin K3 derivatives 2-methyl-3-[(pyridin-2-ylmethyl)-amino]-1,4-naphthoquinone (M-1), 2-methyl-3-[(pyridin-2-ylethyl)-amino]-1,4-naphthoquinone (M-2), 2-methyl-3-((2-(thiophen-2-yl) methyl)amino)naphthalene-1,4-dione (M-3) and 2-methyl-3-((2-(thiophen-2-yl)ethyl)amino)naphthalene-1,4-dione (M-4) have been synthesized, characterized and studied for their chemosensor abilities towards transition metal ions. Crystal structures of M-1 to M-4 revealed a variety of N-H center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions. Minor variations in such interactions by chemical stimuli such as metal ions, results in change in color that can be visualized by naked eyes. It has been shown that electronic structure and H-1 NMR, vibrational as well as electronic spectra from the density functional theory agree well with the experiments. The metal ion binding in ethanol, ethanol-water and in mild base triethylamine brings forth recognizing ability of M-1 toward Ni2+ whereas M-2 exhibits large sensing ability for Cu2+ ion. Interestingly M-1 display varying metal ion binding specificity in different solvents with the association constant in ethanol being 11,786 M-1 for Ni2+ compared to 9462 M-1 for the Cu2+. A reversal in preferential binding of M-2 with the respective association constants being 4190 M-1 and 6370 M-1 is discernible. (C) 2017 Elsevier B.V. All rights reserved.

10aAminonaphthoquinone Molecular-structures10aAnthraquinone10aAqueous-solution10aChemosensor10aCrystal-structures10aCu(II)10aDerivatives10aDFT10aFluorometric Chemosensors10ahydrogen bonding10aNaphthoquinone10api-pi stacking10aRecognition10asensors1 aPatil, Amit1 aLande, Dipali, N.1 aNalkar, Archana1 aGejji, Shridhar, P. (1 aChakrovorty, Debamitra1 aGonnade, Rajesh1 aMoniz, Tania1 aRangel, Maria1 aPereira, Eulalia1 aSalunke-Gawali, Sunita uhttps://library.ncl.res.in/content/binding-selectivity-vitamin-k3-based-chemosensors-towards-nickelii-and-copperii-metal-ions01531nas a2200265 4500008004100000022001400041245010100055210006900156260000800225300001400233490000600247520065000253653002400903653001800927653001900945653001400964653002800978653002001006100002301026700002301049700002201072700002001094700002201114856012901136 2017 eng d a2155-543500aN-Heterocyclic carbene-catalyzed aldol-lactonization of ketoacids via dynamic kinetic resolution0 aNHeterocyclic carbenecatalyzed aldollactonization of ketoacids v cJUN a3995-39990 v73 a

N-Heteroryclic carbene (NHC)-catalyzed enantioselective aldol lactonization of acyclic ketoacids, proceeding via dynamic kinetic resolution, is presented. The carbene generated from the chiral anninoinclanol-derived triazolium salt in the presence of LiCl was the key for the success of this transformation. The reaction allowed the diastereoselective and enantioselective synthesis of cyclopentane-fused beta-lactones having three contiguous stereocenters. The reaction products are shown to undergo substrate-controlled beta-lactone opening in the presence of amines to afford succinimide derivatives with four contiguous stereocenters.

10aaldol lactonization10abeta-lactones10aDKR strategies10aketoacids10aN-heterocyclic carbenes10aorganocatalysis1 aMondal, Santigopal1 aMukherjee, Subrata1 aDas, Tamal, Kanti1 aGonnade, Rajesh1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/n-heterocyclic-carbene-catalyzed-aldol-lactonization-ketoacids-dynamic-kinetic-resolution01557nas a2200217 4500008004100000022001400041245009800055210006900153260000800222300001400230490000700244520081000251100002501061700003201086700001801118700001501136700001701151700002001168700002401188856012701212 2018 eng d a1359-734500aMechano-responsive room temperature luminescence variations of boron conjugated pyrene in air0 aMechanoresponsive room temperature luminescence variations of bo cJUN a6028-60310 v543 a

Stimuli responsive tunable luminescence is a promising field of research. Even though mechanofluorescence is widely studied, mechanophosphorescence remains unexplored. Here we report the mechano-driven fluorescence and phosphorescence variations of a pyrene tetraboronic ester derivative. The fluorochromic and room temperature phosphorescence features are supported by theoretical studies and single crystal analysis. The mechanically ground fluorescence active but phosphorescence inactive pyrene tetraboronic ester exhibits room temperature phosphorescence in air withmechanical force. The efficient intermolecular electronic coupling in the dimer formed upon scratching enables a good communication between singlet and triplet states, hence resulting in room temperature mechanophosphorescence.

1 aWakchaure, Vivek, C.1 aRanjeesh, Kayaramkodath, C.1 aGoudappagouda1 aDas, Tamal1 aVanka, Kumar1 aGonnade, Rajesh1 aBabu, Sukumaran, S. uhttps://library.ncl.res.in/content/mechano-responsive-room-temperature-luminescence-variations-boron-conjugated-pyrene-air01636nas a2200277 4500008004100000022001400041245009300055210006900148260000900217300001600226490000600242520073400248653001300982653001200995653002101007653001301028653001301041100002601054700003001080700001801110700003501128700002001163700002401183700002801207856012301235 2019 eng d a2365-654900aDimedone-based rigid organic scaffold for organizing symmetrical helical peptide chains.0 aDimedonebased rigid organic scaffold for organizing symmetrical  cOCT  a11518-115220 v43 a

We describe herein design, synthesis and conformational investigations of polypeptides attached on a rigid dimedone template. Two identical peptide chains are attached on a single carbon containing dimedone as a scaffold. Dimedone assists in controlling the secondary interactions through strong intramolecular helical C-12 and C-15 membered bifurcated hydrogen bonding on both the peptide chains along with propagating the helical architecture of the peptide chains attached. There exists a C-6 hydrogen bonding for the single stranded peptides attached to dimedone. Extensive structural investigations involving single crystal X-ray diffraction, solution-state NMR and CD studies of oligopeptides have been undertaken.

10adimedone10aHelical10ahydrogen bonding10aPeptides10atemplate1 aMadica, Krishnaprasad1 aLakshmi, Jerripothula, K.1 aMadhu, Suresh1 aNadimpally, Krishna, Chaitanya1 aGonnade, Rajesh1 aJagadeesh, Bharatam1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/dimedone-based-rigid-organic-scaffold-organizing-symmetrical-helical-peptide-chains01237nas a2200157 4500008004100000245007900041210006900120260000800189490000700197520067300204100001800877700002600895700002000921700002700941856011100968 2019 eng d00aSynthesis of hexaphenylbenzene-based template assembled synthetic proteins0 aSynthesis of hexaphenylbenzenebased template assembled synthetic cAUG0 v603 a

Template-assembled synthetic proteins (TASPs) synthesized from rigid templates have attracted attention due to their interesting structural architectures and potential biomedical applications. Herein, we report the design, synthesis and characterizations of TASPs based on hexaphenylbenzene template (HPB) having twelve peptide attachable axial-arms in its structure. The peptides were attached to all the axial-arms of the template in a single step using simple solution phase peptide coupling strategy. The reaction conditions were standardized systematically using simple amines from smaller size to larger ones. (C) 2019 Elsevier Ltd. All rights reserved.

1 aMadhu, Suresh1 aMadica, Krishnaprasad1 aGonnade, Rajesh1 aSanjayan, Gangadhar, J uhttps://library.ncl.res.in/content/synthesis-hexaphenylbenzene-based-template-assembled-synthetic-proteins01280nas a2200253 4500008004100000022001400041245017700055210006900232260000900301300001400310520036300324653002700687653000600714653002600720653001800746653001400764653001600778100002200794700002300816700001900839700002000858700001900878856012900897 2019 eng d a1434-193X00aTf2NH catalyzed 1,6-conjugate addition of 2-hydroxy-p-quinone methides with -functionalized ketones: access to 2,3,4,9-Tetrahydro-1H-xanthenones and 4H-Chromene Derivatives0 aTf2NH catalyzed 16conjugate addition of 2hydroxypquinone methide cJUN  a3127-31333 a

A Bronsted acid catalyzed tandem 1,6-conjugate sequential cycloaddition reaction using 2-hydroxy-p-quinone methides and -functionalized ketones is reported. The method allows xanthenones and chromenes to be accessed in moderate to excellent yield with broad substrate scope, which could be further functionalized to give a versatile set of products.

10a-Functionalized ketone10a110a6-Conjugated addition10aBronsted acid10aChromenes10aXanthenones1 aSatbhaiya, Shruti1 aKhonde, Nilesh, S.1 aRathod, Jayant1 aGonnade, Rajesh1 aKumar, Pradeep uhttps://library.ncl.res.in/content/tf2nh-catalyzed-16-conjugate-addition-2-hydroxy-p-quinone-methides-functionalized-ketones02005nas a2200253 4500008004100000022001400041245007700055210006900132260000900201300001400210490000700224520117700231100002201408700002701430700002701457700002201484700002201506700002401528700002401552700002101576700002601597700002001623856010801643 2020 eng d a1144-054600aSynthesis and biological activity of imidazole based 1,4-naphthoquinones0 aSynthesis and biological activity of imidazole based 14naphthoqu cMAY  a6889-69010 v443 a

Design and development of drugs in multi-drug resistant (MDR) infections have been of growing interest. We report the syntheses, and antibacterial and antifungal activities of imidazole-based 1,4-naphthoquinones (I-1 to I-4; 1-alkyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione (alkyl = methyl to butyl)) and their precursors (B-3; N-(3-chloro-1,-dioxo-1,4-dihydronaphthalen-2-yl)acetamide) and A-1 to A-4; N-(3-(alkylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide (alkyl = methyl to butyl). Crystal structures of B-3, A-1 to A-3 and I-2 to I-4 were obtained through single crystal X-ray diffraction experiments. Electronic structure and charge distribution have further been characterized with the use of Density Functional Theory. Seven of these derivatives display a broad spectrum of antibacterial activity against few selected bacterial strains (Gram-positive and Gram-negative). As demonstrated MIC values with B-2 and B-3 against bacterial isolates were 8-64 mu g ml(-1) and those against pathogenic yeast, C. albicans, were observed in the range of 128-256 mu g ml(-1). MIC data of these derivatives suggest them to be promising against pathogens.

1 aChoudhari, Dinkar1 aSalunke-Gawali, Sunita1 aChakravarty, Debamitra1 aShaikh, Samir, R.1 aLande, Dipali, N.1 aGejji, Shridhar, P.1 aRao, Pradeep, Kumar1 aSatpute, Surekha1 aPuranik, Vedavati, G.1 aGonnade, Rajesh uhttps://library.ncl.res.in/content/synthesis-and-biological-activity-imidazole-based-14-naphthoquinones02060nas a2200265 4500008004100000022001400041245010900055210006900164260000900233300001400242490000700256520119300263653001701456653001601473653001801489653002501507653001501532100001801547700002301565700001701588700001501605700002001620700002201640856013201662 2021 eng d a1861-472800aIntramolecularly double-donor-stabilized stannylene and its coordination towards Ag(I) and Au(I) centers0 aIntramolecularly doubledonorstabilized stannylene and its coordi cAUG  a2118-21250 v163 aThe intramolecularly double-donor-stabilized stannylene 1 has been synthesized from the salt-metathesis reaction between two equivalents of lithium pyridine ene-amide L1 and SnCl2. Compound 1 exhibits dipolar behavior when reacted with B(C6F5)(3) leading to the zwitterionic compound 2. The reaction of 1 with one equivalent and 0.5 equivalent of AgOTf (OTf=trifluoromethane sulfonate) result in the formation of a stannylene-AgOTf complex 3 and a homoleptic distannylene-silver ionic complex 4, respectively. Analogous to complex 4, the gold(I) complex 5 has been synthesized from the reaction between two equivalents of 1 and 0.5 equivalent of AuCl.SMe2/Me3SiOTf. Complex 5 is the first example of homoleptic stannylene-Au(I) ionic complex among the very scarce reports on stannylene-gold(I) coordination complexes. All compounds have been structurally characterized using single crystal X-ray crystallography. Solution-state characterization have been performed using multinuclear NMR techniques. Detailed DFT calculations on the optimized geometries 1 o, 3 o-5 o reveal the change in sp- hybridization on the pyramidal Sn(II) center upon metal coordination and their bonding overlaps.10acoordination10agold cation10ahybridization10aintramolecular donor10astannylene1 aChibde, Purva1 aRaut, Ravindra, K.1 aKumar, Vikas1 aDeb, Rahul1 aGonnade, Rajesh1 aMajumdar, Moumita uhttps://library.ncl.res.in/content/intramolecularly-double-donor-stabilized-stannylene-and-its-coordination-towards-agi-and-aui01352nas a2200217 4500008004100000022001400041245013700055210006900192260000800261300001400269490000700283520056800290100002000858700002300878700002600901700002000927700002100947700002200968700002300990856012101013 2022 eng d a0163-386400aEnceleamycins A-C, furo-naphthoquinones from amycolatopsis sp. MCC0218: isolation, structure elucidation, and antimicrobial activity0 aEnceleamycins AC furonaphthoquinones from amycolatopsis sp MCC02 cMAY a1267-12730 v853 a

Three novel furo-naphthoquinones, enceleamycins A-C (1-3), and a new N-hydroxypyrazinone acid (4) were identified from the strain Amycolatopsis sp. MCC 0218, isolated from a soil sample collected from the Western Ghats of India. Their chemical structure and absolute and relative configurations were established by 1D and 2D NMR spectroscopy, single-crystal X-ray crystallography, and high-resolution mass spectrometry. Compounds 1 and 3 were active against methicillin-susceptible and -resistant Staphylococcus aureus with MIC values of 2-16 mu g/mL.

1 aKhan, Abujunaid1 aSaid, Madhukar, S.1 aBorade, Balasaheb, R.1 aGonnade, Rajesh1 aBarvkar, Vitthal1 aKontham, Ravindar1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/enceleamycins-c-furo-naphthoquinones-amycolatopsis-sp-mcc0218-isolation-structure01698nas a2200253 4500008004100000022001400041245011800055210006900173260000800242300001500250490000900265520084600274653001001120653001501130653003101145653001801176653002001194653001301214100002301227700002201250700002001272700002201292856013001314 2022 eng d a1434-193X00aRegioselective synthesis of 1,4,5-trisubstituted 1,2,3-triazole derivatives from alpha,beta-unsaturated carbonyls0 aRegioselective synthesis of 145trisubstituted 123triazole deriva cJUL ae2022003170 v20223 a

The copper-catalyzed oxidative azide-olefin cycloaddition (OAOC) reaction of differently substituted alpha,beta-unsaturated carbonyls with azides provided an efficient method for preparing biologically active 1,4,5-trisubstituted 1,2,3-triazoles. In this study, the cycloaddition reaction was found to be a simple and powerful method for constructing diverse mono- and bis-(1,4,5-trisubstituted 1,2,3-triazole) functionalized heterocyclic compounds in moderate to high yields with great regioselectivity. The XRD-analysis data of one of the bis-triazole derivatives supported the regioselectivity as well as the conformity of the method in the construction of the triazole nucleus. The preliminary antifungal profile against C. albicans was observed with cinnamaldehyde-based triazole derivatives demonstrating promising results.

10aalpha10aantifungal10abeta-Unsaturated carbonyls10aCycloaddition10aDibenzalacetone10aTriazole1 aVerma, Naimish, K.1 aBera, Smritilekha1 aGonnade, Rajesh1 aMondal, Dhananjoy uhttps://library.ncl.res.in/content/regioselective-synthesis-145-trisubstituted-123-triazole-derivatives-alphabeta-unsaturated02376nas a2200217 4500008004100000022001400041245010500055210006900160260000900229300001400238490000700252520160400259100002901863700002001892700002601912700002001938700002201958700002401980700003002004856012402034 2023 eng d a2052-412900aDonor strapped perylene bisimide macrocycle and its lemniscate dimer with extended charge separation0 aDonor strapped perylene bisimide macrocycle and its lemniscate d cOCT  a5099-51070 v103 a

Macrocyclic structures are fascinating due to their unique design and capability to place chromophores in specific orientations, resulting in exciting optoelectronic properties. However, the synthetic challenges limit the broad exploration of such systems. Herein, we report a thiophene-diacetylene-based ring strapped perylene bisimide macrocycle and its notably different electron transfer features. Single-crystal analysis of the macrocycle pointed to the nearly orthogonal placement of donor-acceptor units, facilitating better electronic communication between them. Interestingly, introduction of an alkyl substituent on the peripheral thiophene ring opened the possibility of forming a higher oligomer macrocycle consisting of two strapped perylene bisimide units. Diffusion and two-dimensional NMR experiments provided insight into the structure of the figure-eight-shaped lemniscate dimer. Transient absorption measurements showed faster electron transfer and extended stabilization of the charge-separated state. The thiophene-diacetylene-based ring is a better donor unit to facilitate rapid electron transfer and extended charge separation in the macrocycle and its lemniscate dimer. The new macrocycle design enables the formation of higher analogs equally capable of stabilizing the charge-separated state. Donor-acceptor (D-A) macrocycle designs position the respective units to achieve ultrafast electron transfer precisely and an extended charge-separated state. Here, we report a D-A macrocycle and its lemniscate dimer molecule with exciting electron transfer features.

1 aVeer, Sairam, Dnyaneshwa1 aGoswami, Tanmay1 aRavindranathan, Sapna1 aGonnade, Rajesh1 aKharbanda, Nitika1 aGhosh, Hirendra, N.1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/donor-strapped-perylene-bisimide-macrocycle-and-its-lemniscate-dimer-extended-charge02618nas a2200253 4500008004100000022001400041245008400055210007000139260000800209490000700217520178600224653001202010653001302022653001902035653001702054653003102071100001802102700002502120700002402145700002002169700003002189700003002219856011502249 2023 eng d a1433-785100aIsomer effect on energy storage of π-extended S-shaped double[6]heterohelicene0 aIsomer effect on energy storage of πextended Sshaped double6hete cNOV0 v623 a

Recently, chiral and nonplanar cutouts of graphene have been the favorites due to their unique optical, electronic, and redox properties and high solubility compared with their planar counterparts. Despite the remarkable progress in helicenes, pi-extended heterohelicenes have not been widely explored. As an anode in a lithium-ion battery, the racemic mixture of pi-extended double heterohelical nanographene containing thienothiophene core exhibited a high lithium storage capability, attaining a specific capacity of 424 mAh g-1 at 0.1 A g-1 with excellent rate capability and superior long-term cycling performance over 6000 cycles with negligible fade. As a first report, the pi-extended helicene isomer (PP and MM), with the more interlayer distance that helps faster diffusion of ions, has exhibited a high capacity of 300 mAh g-1 at 2 A g-1 with long-term cycling performance over 1500 cycles compared to the less performing MP and PM isomer and racemic mixture (150 mAh g-1 at 2 A g-1). As supported by single-crystal X-ray analysis, a unique molecular design of nanographenes with a fixed (helical) molecular geometry, avoiding restacking of the layers, renders better performance as an anode in lithium-ion batteries. Interestingly, the recycled nanographene anode material displayed comparable performance. A pi-extended double heterohelical nanographene of thienothiophene core fused with two hexabenzocoronene units exhibits excellent performance as an anode in a lithium-ion battery. The isomer (PP and MM) with more interlayer distance exhibited a high lithium storage capability compared to the other isomer and racemic mixture. Helical nanographene anodes display excellent rate capability, superior long-term cycling performance, and recyclability.image

10aBattery10agraphene10aLi-ion battery10ananographene10aOrganic Electrode Material1 aKumar, Viksit1 aBharathkumar, H., J.1 aDongre, Sangram, D.1 aGonnade, Rajesh1 aKrishnamoorthy, Kothandam1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/isomer-effect-energy-storage-%CF%80-extended-s-shaped-double6heterohelicene02001nas a2200289 4500008004100000022001400041245010500055210006900160260000800229490000700237520101800244653002201262653002701284653002201311653001601333653002301349100002901372700003301401700001801434700001701452700002001469700002101489700002001510700002401530700003001554856012701584 2023 eng d a1433-785100aOligothiophene-ring-strapped perylene bisimides: functionalizable coaxial donor-acceptor macrocycles0 aOligothiopheneringstrapped perylene bisimides functionalizable c cJAN0 v623 a

Aesthetic designs from nature enable new knowledge to be gained and, at the same time, inspire scientific models. In this context, multicomponent macrocycles embody the advantage of precisely positioning the structural units to achieve efficient communication between them. However, the construction of a functionalizable macrocycle for ultrafast charge separation and stabilization has not been attempted. Herein, we report the synthesis, crystal structure, and transient absorption of a new functionalizable macrocycle consisting of an oligothiophene-ring-strapped perylene bisimide. Transient absorption results point to a sequential improvement in charge separation and stabilization from the macrocycle to the corresponding linear dimer and 2D polymer due to the unique design. Our macrocycle design with a supportive spatial arrangement of the donor and acceptor units will inspire the development of more complex synthetic systems with exciting electron-transfer and charge-separation features.

10aCharge Separation10aDonor-Acceptor Systems10aElectron Transfer10aMacrocycles10aPerylene Bisimides1 aVeer, Sairam, Dnyaneshwa1 aWakchaure, Vivek, Chandrakan1 aAsokan, Kiran1 aDixit, Ruchi1 aGoswami, Tanmay1 aSaha, Ramchandra1 aGonnade, Rajesh1 aGhosh, Hirendra, N.1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/oligothiophene-ring-strapped-perylene-bisimides-functionalizable-coaxial-donor-acceptor02427nas a2200277 4500008004100000022001400041245012800055210007000183260000900253490000700262520147600269653003801745653001001783653001801793653001701811653000901828100002201837700001801859700003001877700002401907700002001931700002001951700001801971700003001989856013002019 2024 eng d a0947-653900aBoron- and oxygen-doped π-extended helical nanographene with circularly polarised thermally activated delayed fluorescence0 aBoron and oxygendoped πextended helical nanographene with circul cAPR 0 v303 a

Helical nanographenes have garnered substantial attention owing to their finely adjustable optical and semiconducting properties. The strategic integration of both helicity and heteroatoms into the nanographene structure, facilitated by a boron-oxygen-based multiple resonance (MR) thermally activated delayed fluorescence (TADF), elevates its photophysical and chiroptical features. This signifies the introduction of an elegant category of helical nanographene that combines optical (TADF) and chiroptical (CPL) features. In this direction, we report the synthesis, optical, and chiroptical properties of boron, oxygen-doped pi-extended helical nanographene. The pi-extension induces distortion in the DOBNA-incorporated nanographene, endowing a pair of helicenes, (P)-B2NG, and (M)-B2NG exhibiting circularly polarized luminescence with glum of -2.3x10-3 and +2.5x10-3, respectively. B2NG exhibited MR-TADF with a lifetime below 5 mu s, and a reasonably high fluorescence quantum yield (50 %). Our molecular design enriches the optical and chiroptical properties of nanographenes and opens up new opportunities in multidisciplinary fields. B, O-doped pi-extended helical nanographene has been explored for its optical and chiroptical properties. The presence of helical and nanographene segments stabilize the helicity and imparts tunable optical properties. Helical nanographene display circularly polarized thermally activated delayed fluorescence. image

10acircularly polarized luminescence10aDOBNA10adual emission10ananographene10aTADF1 aVenugopal, Geethu1 aKumar, Viksit1 aJadhav, Ashok, Badrinaray1 aDongre, Sangram, D.1 aKhan, Abujunaid1 aGonnade, Rajesh1 aKumar, Jatish1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/boron-and-oxygen-doped-%CF%80-extended-helical-nanographene-circularly-polarised-thermally01272nas a2200181 4500008004100000022001400041245007600055210006900131260000900200300001400209490000700223520066100230100002700891700002500918700002000943700002300963856010400986 2024 eng d a1463-907600aSolid-state NMR method for characterization of pharmaceutical eutectics0 aSolidstate NMR method for characterization of pharmaceutical eut cJAN  a3800-38030 v263 a

Pharmaceutical eutectics are extremely useful for designing formulations, and currently, there are no techniques other than differential scanning calorimetry (DSC) that can confirm their formation. In this study, we demonstrate that 1H fast magic angle spinning (MAS) solid-state NMR (SSNMR) experiments can confirm the formation of eutectics by detecting their intermolecular hydrogen bonding interactions. 2D 1H-1H double quantum single quantum (DQSQ) correlation SSNMR experiment is demonstrated which can confirm the formation of pharmaceutical eutectics for which there are no techniques other than differential scanning calorimetry (DSC).

1 aHareendran, Chaithanya1 aShaligram, Parth, S.1 aGonnade, Rajesh1 aAjithkumar, T., G. uhttps://library.ncl.res.in/content/solid-state-nmr-method-characterization-pharmaceutical-eutectics01371nas a2200241 4500008004100000022001400041245009600055210006900151260000800220300001100228490000700239520055600246653002100802653003400823653002800857653002200885100001600907700002300923700001600946700002000962700002200982856012501004 2025 eng d a2193-580700aEfficient Copper-Catalyzed, One-Pot Synthesis of N2-Aryl Phosphoryl 1,2,3-Triazole 1-Oxides0 aEfficient CopperCatalyzed OnePot Synthesis of N2Aryl Phosphoryl  cOCT ae001620 v143 a

A simple and facile one-pot process has been developed for the synthesis of N 2-aryl phosphoryl 1,2,3-triazole 1-oxide derivatives. This new approach utilizes simple and commercially available starting materials, operating under mild conditions. The method employs copper-catalyzed multicomponent reaction, involving the combination of arylhydrazines, beta-ketophosphonates, and tert-butyl nitrite. The developed protocol shows excellent functional group tolerance permitting an extensive range of substrate scope up to 92% isolated yield.

10aCopper-catalyzed10aPhosphoryl triazoles N-oxides10aPhosphorylated compound10aTriazole N-oxides1 aMujahid, M.1 aBhavar, Akshay, A.1 aVara, Vijay1 aGonnade, Rajesh1 aMuthukrishnan, M. uhttps://library.ncl.res.in/content/efficient-copper-catalyzed-one-pot-synthesis-n2-aryl-phosphoryl-123-triazole-1-oxides02455nas a2200241 4500008004100000022001400041245012100055210006900176260000800245300001400253490000700267520164400274100001901918700001801937700001701955700001601972700001701988700001902005700001702024700002002041700002102061856013102082 2025 eng d a2040-336400aInvestigating the visible range photoresponse of an organic single-crystal analogue of the green fluorescent protein0 aInvestigating the visible range photoresponse of an organic sing cAPR a8614-86230 v173 a

The growing demand for lightweight, flexible, semi-transparent and low-cost photodetectors (PDs) in wearable electronics and optical communication systems has prompted studies to investigate organic materials as feasible alternatives to conventional inorganic PDs. However, modern organic PDs often face responsivity, detectivity, and photoresponse speed limitations, particularly in the visible range. Here, we present the photoresponse of an organic single-crystal analogue of the green fluorescent protein (GFP) chromophore photodetector, fabricated on a silicon nitride substrate. A significant increase in photocurrent was detected upon illumination with visible wavelengths (532 nm, 630 nm, and halogen light). A remarkably consistent and repeatable photoresponse was obtained during the ON and OFF illumination cycles. The device showed the dependence of photocurrent on the applied bias voltages. The measured photocurrent, responsivity, detectivity, rise time, decay time, noise equivalent power and external quantum efficiency are studied for different wavelengths. Strikingly, the fabricated device demonstrates excellent performance in the visible region compared to several conventional organic and inorganic PDs. The observed responsivity and detectivity values for the device are 98 mA W-1 and 7.94 x 108 Jones, respectively. Furthermore, the device also exhibits rapid photoresponse dynamics with a rise time of 180 ms and a decay time of 152 ms. The excellent photodetection features indicate that the single crystal GFP could serve as a versatile broadband material for future applications in optoelectronics.

1 aVirole, Vishal1 aDabke, Niteen1 aVerma, Sahil1 aKumar, Ajay1 aPandya, Rinu1 aHusale, Sudhir1 aVanka, Kumar1 aGonnade, Rajesh1 aKanawade, Rajesh uhttps://library.ncl.res.in/content/investigating-visible-range-photoresponse-organic-single-crystal-analogue-green-fluorescent02407nas a2200313 4500008004100000245008500041210007000126260000800196300001500204490000700219520144500226653001401671653000801685653001401693653001701707653002001724653000901744100001801753700002201771700003001793700002401823700002001847700001801867700001901885700001901904700002101923700003001944856011901974 2025 eng d00aRegioisomeric π-extended nanographene with long-lived phosphorescence afterglow0 aRegioisomeric πextended nanographene with longlived phosphoresce cFEB ae2024221250 v643 a

The cutouts of graphene sheets, particularly those with a nonplanar topology, present vast opportunities for advancement. Even a slight deviation from the planar structure can lead to intriguing (chiro)optical features for helically twisted nanographenes. In this context, we introduce two regioisomeric pi-extended nanographenes that exhibit distinct excited-state characteristics. The helicene structure and the photophysical features can be easily tuned by changing the connecting position of the nanographene to the carbazole core (2,7- and 3,6-). Single-crystal X-ray diffraction analysis confirmed the formation of nanographenes with bent and helical conformations. Both derivatives exhibited thermally activated delayed fluorescence at room temperature and phosphorescence at low temperatures. Notably, the nanographene with the bent structure displayed an impressive red afterglow lasting over 30seconds, in contrast to the very weak afterglow observed in the helical structure. DFT calculations revealed the existence of an isoenergetic higher triplet state (T-8) and comparatively weak spin-orbit coupling (T-1-S-0), thereby enabling the bent nanographene to exhibit a long-lived component and strong afterglow. Our findings highlight the significance of regioisomeric nanographenes with exceptional optical properties and offer a deeper understanding of the structure-property relationship in nonplanar nanographenes.

10aAfterglow10aCPL10aHelicenes10ananographene10aPhosphorescence10aTADF1 aKumar, Viksit1 aVenugopal, Geethu1 aJadhav, Ashok, Badrinaray1 aDongre, Sangram, D.1 aGonnade, Rajesh1 aKumar, Jatish1 aRuer, Paul, C.1 aHupp, Benjamin1 aSteffen, Andreas1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/regioisomeric-%CF%80-extended-nanographene-long-lived-phosphorescence-afterglow02379nas a2200349 4500008004100000022001400041245013700055210006900192260000900261300001100270490000900281520118000290653000601470653002701476653003701503653003301540653003001573653002801603653003701631100002601668700001801694700001701712700002401729700001801753700002201771700002401793700002101817700002001838700002101858700002101879856012901900 2026 eng d a0022-286000aStructural characterisation, anticancer properties, and BSA binding of 2,6-dipyrazinylpyridines: Insights from experiment and theory0 aStructural characterisation anticancer properties and BSA bindin cFEB  a1442250 v13513 a

The phenyl-(2,6-di-2-pyrazinyl)pyridine derivatives (L1, L2) were synthesized using a one-pot Krohnke-type method, starting from 2-acetylpyrazine and substituted benzaldehydes. Their structures were characterized using a combination of spectroscopic (NMR, HRMS) and single-crystal X-ray diffraction techniques, complemented by density functional theory (DFT). Single-crystal X-ray diffraction reveals that L1 crystallizes in the C2/c space group (T = 296 K) with its supramolecular assembly being stabilized by C-H & ctdot;N and pi-pi stacking interactions, whereas L2 facilitates C-H & ctdot;N, N-H & ctdot;pi bifurcated, and pi-pi* interactions. The bio-interaction properties of L1 were studied using fluorescence spectroscopy with bovine serum albumin (BSA) as a model protein. Fluorescence studies demonstrated L1 induces static quenching of BSA, with a binding constant of 5.15 x 104 mol & sdot;dm-3. Synchronous and three-dimensional fluorescence spectra further demonstrated that L1 brings forth significant conformational changes in BSA. The compounds were evaluated for cytotoxicity against the HCT-116 human colorectal cancer cell line.

10a210a6-dipyrazinylpyridines10aBovine serum albumin interaction10aCytotoxicity (HCT-116 cells)10aDensity functional theory10aHalogenated derivatives10aSingle-crystal X-ray diffraction1 aEnumula, Sreenivasulu1 aShaikh, Javed1 aShaikh, Amin1 aSheikh, Kounsar, N.1 aTambe, Pranav1 aLande, Dipali, N.1 aGejji, Shridhar, P.1 aShaligram, Parth1 aGonnade, Rajesh1 aBhadbhade, Mohan1 aAhmed, Khursheed uhttps://library.ncl.res.in/content/structural-characterisation-anticancer-properties-and-bsa-binding-26-dipyrazinylpyridines