Molecular structure simulation of (E)-2-(butan-2-ylidene) hydrazinecarbothioamide using the DFT approach, and antioxidant potential assessment of its complexes

Autor: Tahmeena Khan, Iqbal Azad, Rumana Ahmad, Alfred J. Lawrence, Mohammad Azam, Saikh Mohammad Wabaidur, Saud I. Al-Resayes, Saman Raza, Abdul Rahman Khan

Publikováno v: Journal of King Saud University: Science, Vol 33, Iss 2, Pp 101313- (2021)

The molecular structure of (E)-2-(butan-2-ylidene)hydrazinecarbothiomide (2-butanone thiosemicarbazone) was validated by density functional theory (DFT) calculations. The characterization of the ligand was done using various spectroscopic techniques.

Externí odkaz: https://doaj.org/article/53a45a91751942c4b04028fadf4f1a5e

Computational Drug Designing, Synthesis, Characterization and Anti-bacterial Activity Evaluation of Some Mixed Ligand–Metal Complexes of 2-hydroxybenzaldehydethiosemicarbazone as Primary Ligand

Autor: Tahmeena Khan, Saima Zehra, Umama Fatima, Nidhi Mishra, Rubina Lawrence, Akhilesh Maurya, Shraddha Singh, Ebenezer Jeyakumar, Saman Raza

Publikováno v: Chemistry Africa.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::351b405b58a0791cbf0262c92f894305
https://doi.org/10.1007/s42250-023-00640-4

List of contributors

Autor: Rabeea D. Abdel-Rahim, Nadeesh M. Adassooriya, Md. Adnan, Md Asad Ahmad, Naseem Ahmad, Umar Farooq Alahmad, Ahmed S. Ali, Madhusudhan Alle, Jayshree Annamalai, Noureen Ansari, null Anweshan, Arvind Arya, Archana Bachheti, Rakesh Kumar Bachheti, Mahamuda Begum, Tadege Belay, Shivakumar Belur, Ajay Kumar Chauhan, Sonam Chawla, Ramachandran Chelliah, Chengchao Chu, Md Daniyal, Pranjal P. Das, null Deepti, Simons Dhara, Isha Dhingra, Muili Feyisitan Fakoya, Xing Gao, Smriti Gaur, Suvankar Ghorai, Prabhanjan Giram, Hassanien Gomaa, Azamal Husen, Jayasankar Janeni, Abhijeet Joshi, Murugan Karuvelan, Azhar Khan, Riyazuddeen Khan, Tahmeena Khan, Samvedna Khatri, Ahmed Kotb, Deepak Kulkarni, Anoop Kumar, Sandeep Kumar, Gang Liu, Inamul Hasan Madar, Sumathi Malairajan, Amit Kumar Mandal, Rittick Mondal, Sudip Mukherjee, Shubham Musale, Yenework Nigussie, Deog-Hawn Oh, Prabhakar Panzade, Kamakshi Parsai, Paras Porwal, Mihir K. Purkait, Qazi Inamur Rahman, Mohammad Asif Raja, Subashini Rajakannu, Saman Raza, En Ren, Mahpara Safdar, Niladri Shekhar Samanta, Hanen Sellami, Subhash Nandlal Shah, Harshita Shand, Karishma Sharma, Mukesh Sharma, Santosh Shelke, Nikita Singh, Sachidanand Singh, Surendra Pratap Singh, Ankush D. Sontakke, Ghazala Sultan, Hamid R. Taghiyari, Pankaj Kumar Tyagi, Gulamnabi Vanti, Tanmay Vyas, Kalyan Vydiam, Javed Ahmad Wagay, Limenew Abate Worku, Bhoomika Yadav, Syeda Mahvish Zahra, Saima Zehra, Yun Zeng

Publikováno v: Advances in Smart Nanomaterials and their Applications ISBN: 9780323995467

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::732b4c8c6f5a0f280e7e8ddf4174b5c6
https://doi.org/10.1016/b978-0-323-99546-7.00031-8

Longevity of Glass Ionomer Cement as a Permanent Filling Material in Primary School-Going Children

Autor: Samera Salamat, Maida Amber, Saman Raza, Safina Habib

Publikováno v: Pakistan Journal of Medical and Health Sciences. 16:725-727

Background: Glass ionomer cements (GICs) have unique qualities that make them ideal for luting applications and as restorative materials. Anti-cariogenic effect due to fluoride release, being thermally compatible with tooth enamel and low toxicity ar

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::da6027da265c40c6b6782a0536383a2f
https://doi.org/10.53350/pjmhs22161725

How much X is in XAI: Responsible use of 'Explainable' artificial intelligence in hydrology and water resources

Autor: Holger Robert Maier, Firouzeh Rosa Taghikhah, Ehsan Nabavi, Saman Razavi, Hoshin Gupta, Wenyan Wu, Douglas A.G. Radford, Jiajia Huang

Publikováno v: Journal of Hydrology X, Vol 25, Iss , Pp 100185- (2024)

Explainable Artificial Intelligence (XAI) offers the promise of being able to provide additional insight into complex hydrological problems. As the “new kid on the block”, these methods are embraced enthusiastically and often viewed as offering s

Externí odkaz: https://doaj.org/article/c89a515b317f489da8b7f40ded0ca7d9