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Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03392B, Paper
Yi Huang, Changqing Lin, Yang Xue, Bingyuan Huang, Dan Huang
Former studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments...
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DFT rationalization of the mechanism and selectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01700E, Paper
Guowei Yan, Ji Ma, Simeng Qi, Alexander M. Kirillov, Lizi Yang, Ran Fang
The mechanism, regioselectivity, and chemoselectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols to give furan-3-carboxylate derivatives were explored by density functional theory (DFT).
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Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03677H, Paper
Francielle C Machado, Mateus M Quintano, Carlos Vital dos Santos Junior, Albano Carneiro Neto, Elfi Kraka, Ricardo Luiz Longo, Renaldo Tenorio Moura Jr.
{This study provides new theoretical insights into the vibrational spectra of Ln(III) complexes, along the lanthanide series by utilizing the LModeAGen protocol and integrating cutting-edge topological ideas. It provides a...
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Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03697B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ahmet Altun, Eduardo Schiavo, Michael Mehring, Stephan Schulz, Giovanni Bistoni, Alexander A. Auer
Combined Hartree–Fock plus London Dispersion (HFLD) and fragment-pairwise Local Energy Decomposition (fp-LED) enables computation of lattice energies, their breakdown into pairwise terms, and assessment of relative stability sources in polymorphs.
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Musician Jassie Gift on his two-decade-long career, his latest collaboration ‘Thakthom’ and more 

The Afro hip-hop song ‘Thakthom’ is a collaboration with Ireland-based Malayali musicians and influencers Reyan and Melvin




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Why Generation Now must know Charles Correa

Architect Charles Correa’s work, his larger social vision, and his commitment to a modern India with housing is always relevant



  • Homes and gardens

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World Kindness Day celebration brings community art to Chennai

Chennai celebrates kindness through a 20-feet-wide canvas decorated and painted over three days by more than 1,200 people A celebration of kindness brings Chennai together through community art, shared traditions and meaningful gestures



  • Life & Style

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Unlocking the potential of metal ligand cooperation for enantioselective transformations

Chem. Soc. Rev., 2024, 53,3216-3223
DOI: 10.1039/D3CS00998J, Viewpoint
Open Access
Tizian-Frank Ramspoth, Johanan Kootstra, Syuzanna R. Harutyunyan
Metal–ligand cooperation, (MLC) is a versatile catalysis concept. Herein, we discuss the historical context, mechanisms, and applications, suggesting exploring MLC for enantioselective transformations beyond (de)hydrogenative processes.
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Protein misfolding and amyloid nucleation through liquid–liquid phase separation

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01065A, Review Article
Semanti Mukherjee, Manisha Poudyal, Kritika Dave, Pradeep Kadu, Samir K. Maji
Protein misfolding and amyloid aggregation, linked to neurodegenerative diseases, can result from liquid–liquid phase separation (LLPS) and a subsequent liquid-to-solid transition. This represents LLPS as a generic mechanism in amyloid nucleation.
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Construction of olefinic coordination polymer single crystal platforms: precise organic synthesis, in situ exploration of reaction mechanisms and beyond

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01050C, Review Article
Qiaoqiao Zhang, Yong Wang, Pierre Braunstein, Jian-Ping Lang
Olefinic coordination polymers were used as universal single crystal platforms for precise organic synthesis, in situ mechanism exploration and photochemical applications.
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Chennai Corporation Schools register 88.86% pass in Plus Two examination

A total of 5,899 students of 32 Corporation schools appeared for the examination. As many as 2,129 boys and 2,995 girls cleared it. The pass percentage among boys was 81.07 while among the girls it was 91.5.




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Dogtown / Katherine Applegate and Gennifer Choldenko ; with illustrations by Wallace West

Applegate, Katherine, author




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Maggie Lou, Firefox / Arnolda Dufour Bowes ; illustrations by Karlene Harvey

Dufour Bowes, Arnolda, 1974- author




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When the world didn't end : poems / Caroline Kaufman ; illustrations by Yelena Bryksenkova

Kaufman, Caroline, author




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Can you hear the plants speak? / Nicholas Hummingbird with Julia Wasson ; illustrations by Madelyn Goodnight

Hummingbird, Nicholas, author




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Close up & far out : seeing the world differently / story by Mary Auld & Adria Meserve ; illustrations by Adria Meserve

Auld, Mary, author




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Outer-surface adduct formation and selective separation of cis-type gallated and cis-type non-gallated catechins using cucurbit[7]uril

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05035E, Communication
Open Access
Hiroyuki Tsutsumi, An Miura, Asuka Hanada, Rino Sonoda, Rie Nakashima, Tomonori Ohata, Hirohito Ikeda
The selective separation of cis-type gallated and non-gallated catechins in solution was achieved by utilizing the formation of outer-surface adducts between cis-type catechins and cucurbit[7]uril.
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CO insertion enabled γ-C(sp3)–H heteroarylative carbonylation of tertiary alcohols via heteroaryl migration

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05361C, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Xin Qi, Yuanrui Wang, Xiao-Feng Wu
A carbonylative γ-C(sp3)–H functionalization of alcohols via migration of heteroaryl groups to produce 1,4-diketones has been developed.
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Improving macromolecule crowding configurations in nanopores for protein sensing

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05344C, Communication
Fei Zheng, HongLuan Li, Jun Yang, Haiyan Wang, Guangle Qin, Dapeng Chen, Jingjie Sha
We show that PEG-induced macromolecular crowding enhances protein detection in nanopores by increasing capture rate and translocation frequency.
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Separation of Rare Earth Elements and Nickel Harnessing Electrochemistry and Reactive CO2 Capture and Mineralization

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC04632C, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Akanksha Srivastava, Prarabdh Jain, Greeshma Gadikota, Prince Ochonma, Christopher Noe, Tianhe Yin
The aim is to probe the chemical mechanisms underlying the use of multifunctional solvents to simultaneously capture and convert CO2 into insoluble Rare Earth Element (REE)-carbonates, while forming soluble complexes...
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Small-sized starch nanoparticles for efficient penetration of plant cells

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05493H, Communication
Yongxian Chen, Simin Jiang, Yang Wang, Fuxue Zhang, Liu Wang, Li Zhao, Siyu Liu, Junjun Tan, Staffan Persson, Bo Sun, Junsheng Chen, Andreas Blennow
Fluorescent starch nanoparticles used in live cell imaging in plants suggest that small-sized starch nanoparticles can efficiently penetrate plant cells, indicating great potential for applications in plant science and agriculture.
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Bipyridine-based conjugated microporous polymers for boosted photocatalytic U(VI) separation

Chem. Commun., 2024, 60,13348-13351
DOI: 10.1039/D4CC04456H, Communication
Yun Xie, Zifan Li, Chenchen Liu, Qiming Song, Yunhai Liu, Zhibin Zhang, Bin Han
Incorporating bipyridine (BPY) units into conjugated microporous polymers (CMPs) boosts exciton dissociation, charge separation, and oxidation capacity, thereby exhibiting an admired U(VI) separation rate under sacrificial agent-free conditions.
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Polarizable AMOEBA force field predicts thin and dense hydration layer around monosaccharides.

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC04415K, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Luke A Newman, Mackenzie G Patton, Breyanna A Rodriguez, Ethan W Sumner, Valerie Vaissier Welborn
Polarizable force fields crucially enhance the modeling of macromolecules in polar media. Here, we present new parameters to model six common monosaccharides with the polarizable AMOEBA force field. These parameters...
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DECESF - DC 1 à 4 - Préparation complète pour réussir sa formation - Tout-en-un 2025-2026

22,90 €15,00 €

Agnès Fostel, Gladys Bugeault, Véronique Fauconnet, Brigitte Gautier, Karl Grux, Martine Le Manach, Line Mariale, Dalila Mechaheb, Antoine Pétard, Anne Rachel Tournier, Roselyne Vuagnat
5e édition
octobre 2024
256 pages
Un livre complet pour préparer le diplôme d'État de conseiller en économie sociale familiale (DECESF) !
Ouvrage tout-en-un
Nouveau
978-2-311-21591-5
Diplôme d'État de Conseiller en économie sociale familiale
Disponible
Livre




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Adoration for Siva




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Prerequisites for liberation




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Prerequisites for liberation




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Seeking Acharya’s help to attain liberation




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Synergistic effects of vanadium incorporation in cobalt-based LDH on electron and proton transfer during electrocatalytic benzyl alcohol oxidation

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00728J, Paper
Jingjing Bai, Liang Chen, Chenghang Lv, Hongyu Ruo, Yanlong Pan, Shoudong Xu, Jiaqi Chen, Bingchuan Yang, Ding Zhang, Huimin Yang
Electricity-driven water splitting is a promising approach for cost-effective and environment-friendly hydrogen production.
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Structural optimization of icaritin for advanced cancer: novel carbamates via oral administration

New J. Chem., 2024, Advance Article
DOI: 10.1039/D3NJ05723B, Paper
Fengxiao Li, Weiping Wang, Jiaqi Fan, Yixiu Zhai, Jiaming Zhang, Tianhong Zhang, Qikun Jiang
Carbamates of icaritin (3N-Me and 3N-Et) are synthesized first to overcome the challenge of the phase II metabolism of ICT. 3N-Me has potential as a novel advanced cancer treatment agent via oral administration in the future.
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Mesoporous carbon hollow spheres loaded with Fe/Fe3C as efficient solar vapour generation materials

New J. Chem., 2024, 48,7168-7175
DOI: 10.1039/D4NJ00424H, Paper
Jianfeng Gao, Hui Zhang, Zhaoshun Zhang, Changcheng Lin, Qun Yang, Shiwei Shi, Xueqin Zuo, Shaowei Jin, Guang Li
An evaporator has two major advantages: excellent interfacial evaporation efficiency and organic pollution treatment capacity.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Preparation of hydrogels with self-reinforced mechanical properties using ball-milled microcrystalline cellulose and regenerated cellulose from deep eutectic solvent

New J. Chem., 2024, 48,7405-7412
DOI: 10.1039/D4NJ00622D, Paper
Yi Zhang, Yingming Zhu, Kejing Wu, Yingying Liu, Houfang Lu, Bin Liang
Choline chloride–lactic acid deep eutectic solvent assisted by ball milling effectively dissolved microcrystalline cellulose. Regenerated cellulose was used to prepare novel cellulose hydrogel with self-reinforced mechanical properties.
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Magnesium(II) complexes supported by indole- and pyrrole-containing Schiff-base ligands: syntheses, structures, and applications as precatalysts in the hydroboration of nitriles and alkynes

New J. Chem., 2024, 48,7125-7133
DOI: 10.1039/D4NJ00492B, Paper
Mengxiang Wu, Ling Chen, Xiaohan Yang, Yahong Li
Five magnesium compounds were synthesized. They are active precatalysts for the hydroboration of nitriles and alkynes. The catalytic reactions feature mild reaction conditions, excellent functional group tolerance, and high yields.
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Modification of a MoS2 composite membrane using nano-silica for high-efficiency dye separation

New J. Chem., 2024, 48,7439-7448
DOI: 10.1039/D3NJ05932D, Paper
Xiaoyu Yang, Hongdan Wu, Zhihui Zhou, Yehao Zhao, Yuedong Li
A novel MoS2/SiO2 composite membrane with larger interlayer spacing intercalation was prepared by vacuum-assisted self-assembly process using SiO2 nanoparticles, which showed high-efficiency dye separation performance and aqueous stability.
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Tannic acid induced in situ growth of an underwater superoleophobic ZIF-8 composite membrane for emulsion separation

New J. Chem., 2024, 48,7384-7393
DOI: 10.1039/D4NJ00623B, Paper
Wanyu Lu, Qijin Tang, Huajing Cheng, Shudi Li, Cailong Zhou, Hao Yang
Tannic acid induced in situ growth of ZIF-8 crystals on a nylon membrane, creating a multifunctional composite membrane that exhibits remarkable underwater superhydrophobicity and resistance to oil adhesion.
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A cubic Sm@CdS Q-dot glass as a photocatalyst for solar H2 generation

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00050A, Paper
Vijay B. Autade, Rajendra P. Panmand, Sandeep A. Arote, Reshma S. Ballal, Sonali D. Naik, Milind V. Kulkarni, Baharat B. Kale
Under natural sunlight, thermally stable cubic Sm@CdS QDs – glass matrix shows increase of 42.5% in the hydrogen evolution with respect to the CdS-glass with a similar heat treatment temperature.
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Drawing inspiration from cityscapes are Urban Sketchers in different Indian cities

With more than 15 chapters in India, Urban Sketchers are documenting many aspects of everyday life and architecture



  • Life & Style

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Integrated microfluidic-based ultrafine water condensation particle counter (UWCPC) for monitoring of airborne nanoparticle generation and growth mechanisms

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D3EN00686G, Paper
Seong-Jae Yoo, Yong-Jun Kim
This study reports a newly developed condensation particle counter for nanoparticle source tracking, growth mechanism analysis, and wide area nanoparticle monitoring.
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Facile fabrication of Z-scheme g-C3N5/Gd-MOF/silver nanocubes composite as new generation visible light active photocatalyst for abatement of persistent toxic pollutants

Environ. Sci.: Nano, 2024, Accepted Manuscript
DOI: 10.1039/D3EN00913K, Paper
Varsha UshaVipinachandran, Susanta Kumar Bhunia
Some of the persistent hazardous contaminants that readily dissolve in water with a recognizable hue are hexavalent chromium and neomycin antibiotic. Herein, a Z-scheme g-C3N5/Gd-MOF/silver nanocubes (CNGdAg) ternary composite was...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Carbon NPs seize the accumulation of storage proteins and check the generation advancement of polyphagous insect pest tobacco cutworm Spodoptera litura (Fabricius)

Environ. Sci.: Nano, 2024, Accepted Manuscript
DOI: 10.1039/D3EN00939D, Paper
Manisha Mishra, Rashmi Pandey, Ranjana Chauhan, Sharad Saurabh, Anoop Shukla, Sheelendra Pratap Singh, Pradhyumna Kumar Singh, Farrukh Jamal
Spodoptera litura (Lepidoptera: Noctuidae) is considered one of the most important agricultural pests, globally. It is a highly prevalent and very damaging insect pest to several vegetables and crops like...
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Fractionation and preconcentration of silver nanoparticles at environmentally relevant concentrations through induced eco-corona formation and spICP-MS characterization

Environ. Sci.: Nano, 2024, 11,1559-1570
DOI: 10.1039/D3EN00933E, Paper
Aline Martins de Andrade, Anerise de Barros, Italo Odone Mazali, Marco Aurélio Zezzi Arruda
The release of nanoparticles (NPs) into environmental matrices has raised concerns regarding the contamination of environmental matrices. An induced eco-corona method was used to preconcentrate silver NPs in environmental waters analysed by spICP-MS.
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Preparation of UV-responsive hydrogels based on nanocellulose and their utilization in fungicide delivery

Environ. Sci.: Nano, 2024, 11,1442-1451
DOI: 10.1039/D3EN00910F, Paper
Chaoqun You, Xinyue Ji, Hanchen Lin, Ning Ma, Wei Wei, Lingfeng Long, Like Ning, Fei Wang
A stimuli-responsive hydrogel for fungicide delivery based on UV-sensitive molecular (AZO)-conjunct CNCs is successfully prepared.
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Rational construction of micro-plate-like iron oxide/aluminium oxide-fabricated screen-printed carbon electrode for the electrochemical detection of the antiandrogen drug

Environ. Sci.: Nano, 2024, 11,1521-1532
DOI: 10.1039/D3EN00808H, Paper
Sivakumar Musuvadhi Babulal, Nandini Nataraj, Tse-Wei Chen, Shen Ming Chen, Bih-Show Lou, Arshad Mehmood Abbasi, Amal M. Al-Mohaimeed, Mohamed Soliman Elshikh, Jaysan Yu
An improved electrochemical sensing platform with a vital strategy for NTM antiandrogen drug detection in real environmental and biofluid samples.
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Two multifunctional Dy(III)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation

CrystEngComm, 2024, 26,2033-2042
DOI: 10.1039/D4CE00065J, Paper
Ya-Qing Liao, Tian-Zheng Xiong, Kang-Le Xie, Huan Zhang, Jun-Jie Hu, He-Rui Wen
Two novelty Dy-MOFs were synthesized using H4DTTP-2OMe ligand. MOF 1 displays a more superior proton conductivity, field-induced single molecule magnets behavior and obvious second-order nonlinear optical properties.
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Noble-metal-free bimetallic nitride decorated CdS nanorods for photocatalytic hydrogen generation

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00216D, Paper
Lu Chen, Yu Zou Xia, Jiale Shi, Xiaohui Huang, Xiyao Liu, Guiyang Yan, Renkun Huang
Developing highly active and stable non-noble-metal cocatalyst-decorated semiconductors is desirable for the practical application of photocatalysis, which remains an open question. Herein, we report transition-metal nitride (Ni3FeN) loaded cadmium sulfide...
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Local concentration controls the hydrate phase of calcium oxalate

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D3CE01286G, Paper
Zhaodong Wang, Lala Du, Qihang Wang, Jingjing Xie, Zhengyi Fu, Zhaoyong Zou
The calcium oxalate phase selection in supersaturated solution is determined by a combination of thermodynamic and kinetic factors.
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Twitter’s top content moderation executive Ella Irwin resigns

As head of Trust and Safety, Irwin helped oversee Twitter’s policies on harassment, hate speech and violent content — rules which were relaxed under new owner Elon Musk




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I&B Ministry issues advisory to media and social media platforms ahead of Ram temple consecration ceremony

This comes after the Ministry observed that certain fake and unverified messages are being spread, especially on social media.




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Civil Aviation Ministry notifies operational guidelines for drone PLI scheme

The PLI scheme will be only for the companies that are involved in the manufacture of drone and drone components in India




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Royal Enfield X UNESCO set out on a Great Himalayan Exploration

Rider researchers travel to remote communities in the Himalayas to stay with them and document their traditions in an attempt to promote and safeguard the ‘intangible cultural heritage of India’