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12. The recent advances in the approach of artificial intelligence (AI) towards drug discovery.

Author

Khan, Mahroza Kanwal, Raza, Mohsin, Shahbaz, Muhammad, Hussain, Iftikhar, Khan, Muhammad Farooq, Xie, Zhongjian, Shah, Syed Shoaib Ahmad, Tareen, Ayesha Khan, Bashir, Zoobia, Khan, Karim, and Sagar, Rizwan Ur Rehman

Subjects
ARTIFICIAL intelligence, DRUG discovery, DRUG design, STRUCTURE-activity relationships, MACHINE learning
Abstract

Artificial intelligence (AI) has recently emerged as a unique developmental influence that is playing an important role in the development of medicine. The AI medium is showing the potential in unprecedented advancements in truth and efficiency. The intersection of AI has the potential to revolutionize drug discovery. However, AI also has limitations and experts should be aware of these data access and ethical issues. The use of AI techniques for drug discovery applications has increased considerably over the past few years, including combinatorial QSAR and QSPR, virtual screening, and denovo drug design. The purpose of this survey is to give a general overview of drug discovery based on artificial intelligence, and associated applications. We also highlighted the gaps present in the traditional method for drug designing. In addition, potential strategies and approaches to overcome current challenges are discussed to address the constraints of AI within this field. We hope that this survey plays a comprehensive role in understanding the potential of AI in drug discovery. [ABSTRACT FROM AUTHOR]

Published
2024
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26. Soft X‐ray Detectors Based on SnS Nanosheets for the Water Window Region

Author

Shabbir, Babar, primary, Liu, Jingying, additional, Krishnamurthi, Vaishnavi, additional, Ayyubi, R. A. W., additional, Tran, Kevin, additional, Tawfik, Sherif Abdulkader, additional, Hossain, M. Mosarof, additional, Khan, Hareem, additional, Wu, Yingjie, additional, Shivananju, Bannur Nanjunda, additional, Sagar, Rizwan Ur Rehman, additional, Mahmood, Asif, additional, Younis, Adnan, additional, Uddin, Md Hemayet, additional, Bukhari, Syed A., additional, Walia, Sumeet, additional, Li, Yongxiang, additional, Spencer, Michelle J.S., additional, Mahmood, Nasir, additional, and Jasieniak, Jacek J., additional

Published
2021
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28. Recent Progress, Challenges, and Prospects in Two-Dimensional Photo-Catalyst Materials and Environmental Remediation

Author

Massachusetts Institute of Technology. Research Laboratory of Electronics, Khan, Karim, Tareen, Ayesha Khan, Aslam, Muhammad, Sagar, Rizwan Ur Rehman, Zhang, Bin, Huang, Weichun, Mahmood, Asif, Mahmood, Nasir, Khan, Kishwar, Zhang, Han, Guo, Zhongyi, Massachusetts Institute of Technology. Research Laboratory of Electronics, Khan, Karim, Tareen, Ayesha Khan, Aslam, Muhammad, Sagar, Rizwan Ur Rehman, Zhang, Bin, Huang, Weichun, Mahmood, Asif, Mahmood, Nasir, Khan, Kishwar, Zhang, Han, and Guo, Zhongyi

Abstract

The successful photo-catalyst library gives significant information on feature that affects photo-catalytic performance and proposes new materials. Competency is considerably significant to form multi-functional photo-catalysts with flexible characteristics. Since recently, two-dimensional materials (2DMs) gained much attention from researchers, due to their unique thickness-dependent uses, mainly for photo-catalytic, outstanding chemical and physical properties. Photo-catalytic water splitting and hydrogen (H₂) evolution by plentiful compounds as electron (e⁻) donors is estimated to participate in constructing clean method for solar H₂-formation. Heterogeneous photo-catalysis received much research attention caused by their applications to tackle numerous energy and environmental issues. This broad review explains progress regarding 2DMs, significance in structure, and catalytic results. We will discuss in detail current progresses of approaches for adjusting 2DMs-based photo-catalysts to assess their photo-activity including doping, hetero-structure scheme, and functional formation assembly. Suggested plans, e.g., doping and sensitization of semiconducting 2DMs, increasing electrical conductance, improving catalytic active sites, strengthening interface coupling in semiconductors (SCs) 2DMs, forming nano-structures, building multi-junction nano-composites, increasing photo-stability of SCs, and using combined results of adapted approaches, are summed up. Hence, to further improve 2DMs photo-catalyst properties, hetero-structure design-based 2DMs’ photo-catalyst basic mechanism is also reviewed.

Published
2021

35. Nitrogen-Doped Oxygenated Molybdenum Phosphide as an Efficient Electrocatalyst for Hydrogen Evolution in Alkaline Media

Author

Khan, Muhammad Waqas, primary, Loomba, Suraj, additional, Ali, Rashad, additional, Mohiuddin, Md, additional, Alluqmani, Ahmed, additional, Haque, Farjana, additional, Liu, Yongkun, additional, Sagar, Rizwan Ur Rehman, additional, Zavabeti, Ali, additional, Alkathiri, Turki, additional, Shabbir, Babar, additional, Jian, Xian, additional, Ou, Jian Zhen, additional, Mahmood, Asif, additional, and Mahmood, Nasir, additional

Published
2020
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38. Graphene foam as a stable anode material in lithium‐ion batteries.

Author

Yang, Jianhang, Sagar, Rizwan Ur Rehman, Anwar, Tauseef, Li, Xiaocheng, Qian, Zhang, and Liang, Tongxiang

Subjects
*CARBON foams, *LITHIUM-ion batteries, *CHEMICAL vapor deposition, *ANODES
Abstract

Summary: Graphene foam (GF) as anode material is attracting attention due to the mass‐scale production and highly conductive porous three‐dimensional (3D) morphology of 2D‐graphene. The stable performance of lithium‐ion battery (LiBs) based on GF‐anode material is one of the challenges to achieve. Herein, the GF is synthesized with the help of chemical vapor deposition (CVD) method and used as anode material in coin‐cell LiB. A total 250‐charge and discharge cycles of LiB at 0.1 C are observed, and the highest specific capacity ~450 mAh g−1 was detected. The stable performance of LiB is observed from 100th to 250th cycle with a small capacity fading. The rate performance (0.1 C, 1 C, 2 C, 3 C, 4 C each for 10 cycles, and 0.1 C for 100 cycles) indicates a stable performance of LiB. Technologically, stable performance of LiBs is important, and present study can be used as proof of concept for future stable GF‐based practical LiBs. [ABSTRACT FROM AUTHOR]

Published
2022
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39. Soft X‐ray Detectors Based on SnS Nanosheets for the Water Window Region.

Author

Shabbir, Babar, Liu, Jingying, Krishnamurthi, Vaishnavi, Ayyubi, R. A. W., Tran, Kevin, Tawfik, Sherif Abdulkader, Hossain, M. Mosarof, Khan, Hareem, Wu, Yingjie, Shivananju, Bannur Nanjunda, Sagar, Rizwan Ur Rehman, Mahmood, Asif, Younis, Adnan, Uddin, Md Hemayet, Bukhari, Syed A., Walia, Sumeet, Li, Yongxiang, Spencer, Michelle J.S., Mahmood, Nasir, and Jasieniak, Jacek J.

Subjects
SOFT X rays, DETECTORS, NANOSTRUCTURED materials, CURRENT-voltage characteristics, LIGHT absorption, BIOLOGICAL specimens
Abstract

The structural characteristics of biological specimens, such as wet proteins and fixed living cells, can be conveniently probed in their host aqueous media using soft X‐rays in the water window region (200–600 eV). Conventional X‐ray detectors in this area exhibit low spatial resolution, have limited sensitivity, and require complex fabrication procedures. Here, many of these limitations are overcome by introducing a direct soft X‐ray detector based on ultrathin tin mono‐sulfide (SnS) nanosheets. The distinguishing characteristic of SnS is its high photon absorption efficiency in the soft X‐ray region. This factor enables the fabricated soft X‐ray detectors to exhibit excellent sensitivity values on the order of 104 μCGyVac−1 cm−2 at peak energies of ≈600 eV. The peak signal is found to be sensitive to the number of stacked SnS layers, with thicker SnS nanosheet assemblies yielding a peak response at higher energies and with peak sensitives of over 2.5 × 104 μCGyVac−1 cm−2 at 1 V. Detailed current–voltage and temporal characteristics of these detectors are also presented. These results showcase the excellent performance of SnS nanosheet‐based soft X‐ray detectors compared to existing direct soft X‐ray detectors, including that of the emerging organic–inorganic perovskite class of materials. [ABSTRACT FROM AUTHOR]

Published
2022
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40. Unusual magnetotransport properties in graphene fibers

Author

Sagar, Rizwan Ur Rehman, primary, Lifang, Chen, additional, Ali, Ayaz, additional, Khan, Muhammad Farooq, additional, Abbas, Mudassar, additional, Malik, Muhamad Imran, additional, Khan, Karim, additional, Zeng, Jinming, additional, Anwar, Tauseef, additional, and Liang, Tongxiang, additional

Published
2020
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41. Superior Magnetoresistance Performance of Hybrid Graphene Foam/Metal Sulfide Nanocrystal Devices

Author

Zeb, M. Husnain, primary, Shabbir, Babar, additional, Sagar, Rizwan Ur Rehman, additional, Mahmood, Nasir, additional, Chen, Keqiang, additional, Qasim, Irfan, additional, Malik, Muhammad Imran, additional, Yu, Wenzhi, additional, Hossain, M. Mosarof, additional, Dai, Zhigao, additional, Ou, Qingdong, additional, Bhat, Masroor A., additional, Shivananju, Bannur Nanjunda, additional, Li, Yun, additional, Tang, Xian, additional, Qi, Kun, additional, Younis, Adnan, additional, Khan, Qasim, additional, Zhang, Yupeng, additional, and Bao, Qiaoliang, additional

Published
2019
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42. Current Rectification, Resistive Switching, and Stable NDR Effect in BaTiO3/CeO2 Heterostructure Devices.

Author

Rehman, Shania, Kim, Honggyun, Patil, Harshada, Kadam, Kalyani D., Sagar, Rizwan Ur Rehman, Aziz, Jamal, Um, Doo‐Seung, Khan, Muhammad Farooq, and Kim, Deok‐kee

Subjects
ELECTRONIC equipment, CHARGE carriers, MODULATIONAL instability
Abstract

Electronic devices with simultaneous manifestation of multiphysical properties are of great interest due to their possible application in multifunctional devices. In the present study, simultaneous execution of negative differential resistance (NDR) effect, current rectification (≈105), and resistive switching characteristics (≈103) are demonstrated in BaTiO3/CeO2 heterostructure. Although the negative differential effect has gained huge attention, its instability and poor reproducibility at room temperature are the main obstacles to its possible application in electronic devices. However, in this report, the NDR is observed even after hundreds of cycles in BaTiO3/CeO2 heterostructure at 300 K. For a detailed analysis of the NDR effect, AC conductance spectroscopy is performed, which reveals that the presence of NDR is associated with trapping/detrapping of charge carriers at interface states formed at the BaTiO3/CeO2 interface. In addition, the resistive switching and rectification effect are demonstrated due to a barrier at the BaTiO3/CeO2 interface, which can be strongly modulated by thickness (20, 50, and 80 nm) based ferroelectric polarization of BaTiO3. However, the results show that the remarkable performance of these devices makes them a potential candidate for application in multifunctional devices. [ABSTRACT FROM AUTHOR]

Published
2021
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