Saleh Muhammad

Universität Innsbruck

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Pervaiz Ahmad

Prince Sattam Bin Abdulaziz University

Awais Khalid

Prince Sattam Bin Abdulaziz University

Mayeen Uddin Khandaker

Sunway University

Kwang S. Kim

Ulsan National Institute of Science and Technology

Israf Ud Din

Prince Sattam Bin Abdulaziz University

Thomas S. Hofer

Universität Innsbruck

Mohammad Rashed Iqbal Faruque

National Space Agency

Mshari A. Alotaibi

Prince Sattam Bin Abdulaziz University

Abdulhameed Khan

University of Azad Jammu and Kashmir

Q. Alam

Abdul Wali Khan University Mardan

Cooperative Institutions

Hazara University

Ulsan National Institute of Science and Technology

King Saud University

Pohang University of Science and Technology

Quaid-i-Azam University

The University of Texas Medical Branch at Galveston

COMSATS University Islamabad

Pakistan Institute of Engineering and Applied Sciences

Islamia College University

Riphah International University

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Unmodified Titanium Dioxide Nanoparticles as a Potential Contrast Agent in Photon Emission Computed Tomography

Crystals (2021)

Awais Khalid Pervaiz Ahmad Abdulrahman I. Alharthi Saleh Muhammad Mayeen Uddin Khandaker

Highly crystalline titanium dioxide nanoparticles (TiO2-NPs) are synthesized via a simple hydrothermal technique. After structural and compositional analysis, the as-synthesized unmodified TiO2-NPs are tested for improvement in two modes of kilovoltage radiation therapy and single-photon emission computed tomography (SPECT)/computed tomography (CT). Our results show that the unmodified TiO2-NPs provide an observable enhancement in CT scan image contrast ranging from 0 ± 3 HU (without NPs) to 283.7 ± 3 HU (0.23 g/mL). TiO2-NPs has excellent biocompatibility, selective uptake at target sites, and reduced toxicity. The unmodified TiO2-NPs as a contrast agent can significantly improve the existing methods of diagnosing and treating cancer.

Biocompatibility

Titanium Dioxide

10.3390/cryst11020171

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Citations (27)

Interactions of CO₂with various functional molecules

Physical Chemistry Chemical Physics (2015)

Han Myoung Lee Il Seung Youn Saleh Muhammad Jungwoo Lee Kwang S. Kim

We report the CO₂-interactions with diverse functional molecules. Useful functional molecules such as melamine showing very large adsorption enthalpy for CO₂are reported.

Coupled cluster

Non-covalent interactions

10.1039/c5cp00673b

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Citations (128)

Synthesis of Boron-Doped Zinc Oxide Nanosheets by Using Phyllanthus Emblica Leaf Extract: A Sustainable Environmental Applications

Frontiers in Chemistry (2022)

Awais Khalid Pervaiz Ahmad Saleh Muhammad Abdulhameed Khan Mayeen Uddin Khandaker

The use of Phyllanthus emblica (gooseberry) leaf extract to synthesize Boron-doped zinc oxide nanosheets (B-doped ZnO-NSs) is deliberated in this article. Scanning electron microscopy (SEM) shows a network of synthesized nanosheets randomly aligned side by side in a B-doped ZnO (15 wt% B) sample. The thickness of B-doped ZnO-NSs is in the range of 20–80 nm. B-doped ZnO-NSs were tested against both gram-positive and gram-negative bacterial strains including Staphylococcus aureus, Pseudomonas aeruginosa, Klebsiella pneumonia, and Escherichia coli . Against gram-negative bacterium ( K. pneumonia and E. coli ), B-doped ZnO displays enhanced antibacterial activity with 26 and 24 mm of inhibition zone, respectively. The mass attenuation coefficient (MAC), linear attenuation coefficient (LAC), mean free path (MFP), half-value layer (HVL), and tenth value layer (TVL) of B-doped ZnO were investigated as aspects linked to radiation shielding. These observations were carried out by using a PTW ® electron detector and VARIAN ® irradiation with 6 MeV electrons. The results of these experiments can be used to learn more about the radiation shielding properties of B-doped ZnO nanostructures.

Klebsiella pneumonia

Phyllanthus emblica

10.3389/fchem.2022.930620

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Citations (13)

CCDC 797260: Experimental Crystal Structure Determination

The Cambridge Structural Database (2011)

Saleh Muhammad Alan R. Bassindale Peter G. Taylor Louise Male S.J. Coles

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccvrm28

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Data Acquisition System for RPC Testing

I. Ahmed Ishtiaq Hussain Taimoor Khurshid Zia Aftab Hassan Shahzad Waqar Ahmed

The Data Acquisition (DAQ) System of the Compact Muon Solenoid (CMS) RPC test station was built in National Centre for Physics (NCP) during the year 2004-2005 with joint efforts by NCP and PAEC groups. The system is based on the NIM, VME and CAMAC technologies which allowed users to test 10 RPCs simultaneously. With the help of our facility more than 300 RPCs were tested and finally shipped to CERN. This note describes different components of the DAQ in detail and presents a few results from the online DAQ.

VMEbus

Compact Muon Solenoid

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Palladium(ii) in liquid ammonia: an investigation of structural and dynamical properties by applying quantum mechanical charge field molecular dynamics (QMCF-MD)

Dalton Transactions (2017)

Saleh Muhammad Thomas S. Hofer

The structural and dynamical properties of Pd2+ in liquid ammonia have been investigated via quantum mechanical charge field molecular dynamics. Similar to the case of aqueous Pd2+, a six-fold coordination polyhedron in the form of a tetrahedrally elongated octahedron is observed with two ligands in axial positions forming an extended first shell. To highlight the difference in solvation between the aqueous and ammonia case a selection based on the angular-radial distribution with respect to the well-known square planar motif was applied also providing a detailed understanding of ligand exchange between the extended first and second shells. All structural properties resulting from this investigation compare well with the available solid-state data of various N-containing complexes. From the dynamical perspective, Pd2+ in liquid ammonia forms a more flexible complex with a higher rate of ligand exchange than that of its aqueous counterpart.

Dynamics

Quantum chemical

10.1039/c7dt01548h

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First Principle Study of Van Der Waals Heterostructure Based on Ms2 (M= Mo, W) and Janus Crsse Monolayers

SSRN Electronic Journal (2022)

Q. Alam H. U. Din Shujat Ali Khan M. Idrees Bin Amin

The strategy of stacking two dimensional materials for designing van der Waals heterostructure has gained tremendous attention in realizing innovative device applications in optoelectronics and renewable energy sources. Here, we performed the first principle calculations of the geometry, optoelectronic and photocatalytic performance of MS 2 -CrSSe (M=Mo, W) vdW heterostructures. The mirror asymmetry in Janus CrSSe system allows designing two models of MS 2 -CrSSe system with replacing S/Se atoms at opposite surfaces in CrSSe. The feasible configurations of both models of MS 2 -CrSSe system are found energetically, dynamically and thermally stable. The studied heterobilayers possess an indirect type-I band alignment, indicating the recombination of photogenerated electrons and holes in CrSSe monolayer hence, crucial for photodetectors and laser applications. Remarkably, a red-shift in the optical absorption spectra of MS 2 -CrSSe leads them potential candidates for light harvesting applications. More interestingly, all heterobilayers (except WS 2 -CrSSe of model-I) reveal appropriate band edge position of oxidation and reduction potentials of photocatalysis of water dissociation into H + /H 2 and O 2 /H 2 O at pH=0. These results shed light on the practical design of MS 2 -CrSSe system for efficient optoelectronic and photocatalytic water splitting applications.

10.2139/ssrn.4093956

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Detailed DFT studies of the electronic structure and optical properties of KBaMSe3 (M = As, Sb)

Journal of Alloys and Compounds (2015)

Sikander Azam Saleem Ayaz Khan Wilayat Khan Saleh Muhammad Haleem Udin

Density of states

Charge density

10.1016/j.jallcom.2015.04.181

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Triazine-Based Microporous Polymers for Selective Adsorption of CO₂

The Journal of Physical Chemistry C (2015)

Saleh Muhammad Seung Bin Baek Han Myoung Lee Kwang S. Kim

Propeller-shaped triazine was used to synthesize microporous polycarbazole materials through an inexpensive FeCl3-catalyzed reaction using direct oxidative coupling (PCBZ) and extensive cross-linking (PCBZL) polymerization routes. PCBZL has a Brunauer–Emmett–Teller specific surface area of 424 m2 g–1 and shows larger CO2 uptake (64.1 mg g–1 at 273 K, 1 atm). Selective adsorption of CO2 over N2 calculated using the ideal adsorbed solution theory shows that both PCBZ (125) and PCBZL (148) exhibit selectivity at 298 K, which is significantly higher than PCBZ (110) and PCBZL (82) at 273 K. These values of selectivity are among the highest reported for any triazine-based microporous material. By introducing the electron-rich carbazole structure into the nitrogen fertile triazine-based system, the adsorption enthalpy is increased drastically, which in turn contributes to high selective adsorption values. The larger existing binding energy between CO2 and propeller specifies more stable and favorable interactions between adsorbent and adsorbate, which transforms into reasonable adsorption capacity at low pressure and eventually high selectivity. These polymeric networks also show moderate working capacity with high regenerability factors. The combination of a simple inexpensive synthesis approach, high thermal/chemical stability, and reasonable selective adsorption make these materials potential candidates for CO2 storage and separation applications.

Triazine

Selective adsorption

Thermal Stability

10.1021/jp509188h

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Citations (79)

Synthesis of N-doped microporous carbon via chemical activation of polyindole-modified graphene oxide sheets for selective carbon dioxide adsorption

Nanotechnology (2013)

Saleh Muhammad Vimlesh Chandra K. Christian Kemp Kwang S. Kim

A polyindole-reduced graphene oxide (PIG) hybrid was synthesized by reducing graphene oxide sheets in the presence of polyindole. We have shown PIG as a material for capturing carbon dioxide (CO2). The PIG hybrid was chemically activated at temperatures of 400–800 ° C, which resulted in nitrogen (N)-doped graphene sheets. The N-doped graphene sheets are microporous with an adsorption pore size of 0.6 nm for CO2 and show a maximum (Brunauer, Emmet and Teller) surface area of 936 m2 g−1. The hybrid activated at 600 ° C (PIG6) possesses a surface area of 534 m2 g−1 and a micropore volume of 0.29 cm3 g−1. PIG6 shows a maximum CO2 adsorption capacity of 3.0 mmol g−1 at 25 ° C and 1 atm. This high CO2 uptake is due to the highly microporous character of the material and its N content. The material retains its original adsorption capacity on recycling even after 10 cycles (within experimental error). PIG6 also shows high adsorption selectivity ratios for CO2 over N2, CH4 and H2 of 23, 4 and 85 at 25 ° C, respectively.

Carbon fibers

10.1088/0957-4484/24/25/255702

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Citations (62)