Displaying publications 1 - 20 of 47 in total

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  1. Identification of Four Novel Candidate Genes for Non-syndromic Intellectual Disability in Pakistani Families
    Ahmed I, Muzammal M, Khan MA, Ullah H, Farid A, Yasin M, et al.
    Biochem Genet, 2023 Nov 20.
    PMID: 37985543 DOI: 10.1007/s10528-023-10556-w
    Intellectual disability, a genetically and clinically varied disorder and is a significant health problem, particularly in less developed countries due to larger family size and high ratio of consanguineous marriages. In the current genetic study, we investigate and find the novel disease causative factors in the four Pakistani families with severe type of non-syndromic intellectual disability. For genetic analysis whole-exome sequencing (WES) and Sanger sequencing was performed. I-TASSER and Cluspro tools were used for Protein modeling and Protein-protein docking. Sanger sequencing confirms the segregation of novel homozygous variants in all the families i.e., c.245 T > C; p.Leu82Pro in SLC50A1 gene in family 1, missense variant c.1037G > A; p.Arg346His in TARS2 gene in family 2, in family 3 and 4, nonsense mutation c.234G > A; p.Trp78Term and missense mutation c.2200G > A; p.Asp734Asn in TBC1D3 and ANAPC2 gene, respectively. In silico functional studies have found the drastic effect of these mutations on protein structure and its interaction properties. Substituted amino acids were highly conserved and present on highly conserved region throughout the species. The discovery of pathogenic variants in SLC50A1, TARS2, TBC1D1 and ANAPC2 shows that the specific pathways connected with these genes may be important in cognitive impairment. The decisive role of pathogenic variants in these genes cannot be determined with certainty due to lack of functional data. However, exome sequencing and segregation analysis of all filtered variants revealed that the currently reported variants were the only variations from the respective families that segregated with the phenotype in the family.
  2. Fulltext Green Synthesis of ZnO and Black TiO2 Materials and Their Application in Photodegradation of Organic Pollutants
    Nawaz R, Ullah H, Ghanim AAJ, Irfan M, Anjum M, Rahman S, et al.
    ACS Omega, 2023 Oct 03;8(39):36076-36087.
    PMID: 37810725 DOI: 10.1021/acsomega.3c04229
    ZnO and black TiO2 have been selected as the most efficient materials for organic pollution abatement due to their increased efficiency when compared to other materials. However, the concept of green chemistry makes it desirable to design green synthesis approaches for their production. In this study, black TiO2 was synthesized using an environmentally safe synthetic technique with glycerol as a reductant. ZnO was prepared by using ionic-liquid-based microwave-assisted extracts of Polygonum minus. To investigate the materials' potential to photodegrade organic pollutants, methylene blue (MB) and phenol were chosen as model organic pollutants. Both materials were found to exhibit spherical morphologies and a mesoporous structure and were efficient absorbers of visible light. ZnO exhibited electron-hole pair recombination lower than that of black TiO2. Black TiO2 was discovered to be an anatase phase, whereas ZnO was found to have a hexagonal wurtzite structure. In contrast to black TiO2, which had a surface area of 239.99 m2/g and a particle size of 28 nm, ZnO had a surface area of 353.11 m2/g and a particle size of 32 nm. With a degradation time of 60 min, ZnO was able to eliminate 97.50% of the 40 mg/L MB. Black TiO2, on the other hand, could reduce 90.0% of the same amount of MB in 60 min. When tested for phenol degradation, ZnO and black TiO2 activities were reduced by nearly 15 and 25%, respectively. A detailed examination of both ZnO and black TiO2 materials revealed that ZnO has more potential and versatility for the degradation of organic pollutants under visible light irradiation.
  3. A comprehensive review on pollution status and associated health risk assessment of human exposure to selected heavy metals in road dust across different cities of the world
    Shahab A, Hui Z, Rad S, Xiao H, Siddique J, Huang LL, et al.
    Environ Geochem Health, 2023 Mar;45(3):585-606.
    PMID: 35347514 DOI: 10.1007/s10653-022-01255-3
    In order to expound on the present situation and potential risk of road dust heavy metals in major cities, a total of 114 literatures mainly over the past two decades, involving more than 5000 sampling sites in 61 cities of 21 countries, were screened through the collection and analysis of research papers. The concentration, sources, distribution, health risk, sample collection, and analytical methods of heavy metal research on road dust in cities around the world are summarized. The results show that Cd, Zn, and Cu in many urban road dusts in the world are higher than the grade II of the Chinese maximum allowable concentration of potentially toxic elements in the soil. Geo-accumulation index values show that Pb > Cd > Zn > Cu had the highest contamination levels. Hazard index assessment indicates Pb and Cr had the highest potential health risk, especially for children in which ingestion was found as the main exposure pathway. Moreover, through comparative analysis, it is found that some pollutants are higher in developed and industrialized cities and transport (53%) followed by industrial emissions (35%) provide the major contributions to the sources of heavy metals.
  4. Fulltext The International Natural Product Sciences Taskforce (INPST) and the power of Twitter networking exemplified through #INPST hashtag analysis
    Singla RK, De R, Efferth T, Mezzetti B, Sahab Uddin M, Sanusi, et al.
    Phytomedicine, 2023 Jan;108:154520.
    PMID: 36334386 DOI: 10.1016/j.phymed.2022.154520
    BACKGROUND: The development of digital technologies and the evolution of open innovation approaches have enabled the creation of diverse virtual organizations and enterprises coordinating their activities primarily online. The open innovation platform titled "International Natural Product Sciences Taskforce" (INPST) was established in 2018, to bring together in collaborative environment individuals and organizations interested in natural product scientific research, and to empower their interactions by using digital communication tools.

    METHODS: In this work, we present a general overview of INPST activities and showcase the specific use of Twitter as a powerful networking tool that was used to host a one-week "2021 INPST Twitter Networking Event" (spanning from 31st May 2021 to 6th June 2021) based on the application of the Twitter hashtag #INPST.

    RESULTS AND CONCLUSION: The use of this hashtag during the networking event period was analyzed with Symplur Signals (https://www.symplur.com/), revealing a total of 6,036 tweets, shared by 686 users, which generated a total of 65,004,773 impressions (views of the respective tweets). This networking event's achieved high visibility and participation rate showcases a convincing example of how this social media platform can be used as a highly effective tool to host virtual Twitter-based international biomedical research events.

  5. Fulltext An Automatic Premature Ventricular Contraction Recognition System Based on Imbalanced Dataset and Pre-Trained Residual Network Using Transfer Learning on ECG Signal
    Ullah H, Heyat MBB, Akhtar F, Muaad AY, Ukwuoma CC, Bilal M, et al.
    Diagnostics (Basel), 2022 Dec 28;13(1).
    PMID: 36611379 DOI: 10.3390/diagnostics13010087
    The development of automatic monitoring and diagnosis systems for cardiac patients over the internet has been facilitated by recent advancements in wearable sensor devices from electrocardiographs (ECGs), which need the use of patient-specific approaches. Premature ventricular contraction (PVC) is a common chronic cardiovascular disease that can cause conditions that are potentially fatal. Therefore, for the diagnosis of likely heart failure, precise PVC detection from ECGs is crucial. In the clinical settings, cardiologists typically employ long-term ECGs as a tool to identify PVCs, where a cardiologist must put in a lot of time and effort to appropriately assess the long-term ECGs which is time consuming and cumbersome. By addressing these issues, we have investigated a deep learning method with a pre-trained deep residual network, ResNet-18, to identify PVCs automatically using transfer learning mechanism. Herein, features are extracted by the inner layers of the network automatically compared to hand-crafted feature extraction methods. Transfer learning mechanism handles the difficulties of required large volume of training data for a deep model. The pre-trained model is evaluated on the Massachusetts Institute of Technology-Beth Israel Hospital (MIT-BIH) Arrhythmia and Institute of Cardiological Technics (INCART) datasets. First, we used the Pan-Tompkins algorithm to segment 44,103 normal and 6423 PVC beats, as well as 106,239 normal and 9987 PVC beats from the MIT-BIH Arrhythmia and IN-CART datasets, respectively. The pre-trained model employed the segmented beats as input after being converted into 2D (two-dimensional) images. The method is optimized with the using of weighted random samples, on-the-fly augmentation, Adam optimizer, and call back feature. The results from the proposed method demonstrate the satisfactory findings without the using of any complex pre-processing and feature extraction technique as well as design complexity of model. Using LOSOCV (leave one subject out cross-validation), the received accuracies on MIT-BIH and INCART are 99.93% and 99.77%, respectively, suppressing the state-of-the-art methods for PVC recognition on unseen data. This demonstrates the efficacy and generalizability of the proposed method on the imbalanced datasets. Due to the absence of device-specific (patient-specific) information at the evaluating stage on the target datasets in this study, the method might be used as a general approach to handle the situations in which ECG signals are obtained from different patients utilizing a variety of smart sensor devices.
  6. Fulltext Multipotent Cholinesterase Inhibitors for the Treatment of Alzheimer's Disease: Synthesis, Biological Analysis and Molecular Docking Study of Benzimidazole-Based Thiazole Derivatives
    Hussain R, Ullah H, Rahim F, Sarfraz M, Taha M, Iqbal R, et al.
    Molecules, 2022 Sep 18;27(18).
    PMID: 36144820 DOI: 10.3390/molecules27186087
    Twenty-four analogues of benzimidazole-based thiazoles (1-24) were synthesized and assessed for their in vitro acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitory potential. All analogues were found to exhibit good inhibitory potential against cholinesterase enzymes, having IC50 values in the ranges of 0.10 ± 0.05 to 11.10 ± 0.30 µM (for AChE) and 0.20 ± 0.050 µM to 14.20 ± 0.10 µM (for BuChE) as compared to the standard drug Donepezil (IC50 = 2.16 ± 0.12 and 4.5 ± 0.11 µM, respectively). Among the series, analogues 16 and 21 were found to be the most potent inhibitors of AChE and BuChE enzymes. The number (s), types, electron-donating or -withdrawing effects and position of the substituent(s) on the both phenyl rings B & C were the primary determinants of the structure-activity relationship (SAR). In order to understand how the most active derivatives interact with the amino acids in the active site of the enzyme, molecular docking studies were conducted. The results obtained supported the experimental data. Additionally, the structures of all newly synthesized compounds were elucidated by using several spectroscopic methods like 13C-NMR, 1H-NMR and HR EIMS.
  7. Fulltext The efficacy of deep learning based LSTM model in forecasting the outbreak of contagious diseases
    Absar N, Uddin N, Khandaker MU, Ullah H
    Infect Dis Model, 2022 Mar;7(1):170-183.
    PMID: 34977438 DOI: 10.1016/j.idm.2021.12.005
    The coronavirus disease that outbreak in 2019 has caused various health issues. According to the WHO, the first positive case was detected in Bangladesh on 7th March 2020, but while writing this paper in June 2021, the total confirmed, recovered, and death cases were 826922, 766266 and 13118, respectively. Due to the emergence of COVID-19 in Bangladesh, the country is facing a major public health crisis. Unfortunately, the country does not have a comprehensive health policy to address this issue. This makes it hard to predict how the pandemic will affect the population. Machine learning techniques can help us detect the disease's spread. To predict the trend, parameters, risks, and to take preventive measure in Bangladesh; this work utilized the Recurrent Neural Networks based Deep Learning methodologies like LongShort-Term Memory. Here, we aim to predict the epidemic's progression for a period of more than a year under various scenarios in Bangladesh. We extracted the data for daily confirmed, recovered, and death cases from March 2020 to August 2021. The obtained Root Mean Square Error (RMSE) values of confirmed, recovered, and death cases indicates that our result is more accurate than other contemporary techniques. This study indicates that the LSTM model could be used effectively in predicting contagious diseases. The obtained results could help in explaining the seriousness of the situation, also mayhelp the authorities to take precautionary steps to control the situation.
  8. Fulltext New challenges in the use of nanomedicine in cancer therapy
    Rasool M, Malik A, Waquar S, Arooj M, Zahid S, Asif M, et al.
    Bioengineered, 2022 Jan;13(1):759-773.
    PMID: 34856849 DOI: 10.1080/21655979.2021.2012907
    Nanomedicines are applied as alternative treatments for anticancer agents. For the treatment of cancer, due to the small size in nanometers (nm), specific site targeting can be achieved with the use of nanomedicines, increasing their bioavailability and conferring fewer toxic side effects. Additionally, the use of minute amounts of drugs can lead to cost savings. In addition, nanotechnology is effectively applied in the preparation of such drugs as they are in nm sizes, considered one of the earliest cutoff values for the production of products utilized in nanotechnology. Early concepts described gold nanoshells as one of the successful therapies for cancer and associated diseases where the benefits of nanomedicine include effective active or passive targeting. Common medicines are degraded at a higher rate, whereas the degradation of macromolecules is time-consuming. All of the discussed properties are responsible for executing the physiological behaviors occurring at the following scale, depending on the geometry. Finally, large nanomaterials based on organic, lipid, inorganic, protein, and synthetic polymers have also been utilized to develop novel cancer cures.
  9. Fulltext Potential application of nanotechnology in the treatment, diagnosis, and prevention of schistosomiasis
    Qadeer A, Ullah H, Sohail M, Safi SZ, Rahim A, Saleh TA, et al.
    Front Bioeng Biotechnol, 2022;10:1013354.
    PMID: 36568300 DOI: 10.3389/fbioe.2022.1013354
    Schistosomiasis is one of the neglected tropical diseases that affect millions of people worldwide. Globally, it affects economically poor countries, typically due to a lack of proper sanitation systems, and poor hygiene conditions. Currently, no vaccine is available against schistosomiasis, and the preferred treatment is chemotherapy with the use of praziquantel. It is a common anti-schistosomal drug used against all known species of Schistosoma. To date, current treatment primarily the drug praziquantel has not been effective in treating Schistosoma species in their early stages. The drug of choice offers low bioavailability, water solubility, and fast metabolism. Globally drug resistance has been documented due to overuse of praziquantel, Parasite mutations, poor treatment compliance, co-infection with other strains of parasites, and overall parasitic load. The existing diagnostic methods have very little acceptability and are not readily applied for quick diagnosis. This review aims to summarize the use of nanotechnology in the treatment, diagnosis, and prevention. It also explored safe and effective substitute approaches against parasitosis. At this stage, various nanomaterials are being used in drug delivery systems, diagnostic kits, and vaccine production. Nanotechnology is one of the modern and innovative methods to treat and diagnose several human diseases, particularly those caused by parasite infections. Herein we highlight the current advancement and application of nanotechnological approaches regarding the treatment, diagnosis, and prevention of schistosomiasis.
  10. Self-healing epoxy coating synthesis by embedment of metal 2-methyl imidazole and acetylacetonate complexes with microcapsules
    Ullah H, Qureshi KS, Khan U, Zaffar M, Yang YJ, Rabat NE, et al.
    Chemosphere, 2021 Dec;285:131492.
    PMID: 34273691 DOI: 10.1016/j.chemosphere.2021.131492
    The restoration of mechanical properties is desired for creating the self-healing coatings with no corrosion capabilities. The encapsulation of epoxy resins is limited by various factors in urea and melamine formaldehyde microcapsules. An improved method was developed, where epoxy resin was encapsulated by individual wrapping of poly(melamine-formaldehyde) and poly(urea-formaldehyde) shell around emulsified epoxy droplets via oil-in-water emulsion polymerization method. The synthesized materials were characterized analytically. The curing of the epoxy was achieved by adding the [Ni/Co(2-MI)6].2NO3 as a latent hardener and iron acetylacetonate [Fe(acac)3] as a latent accelerator. Isothermal and non-isothermal differential scanning calorimetric analysis revealed lower curing temperature (Tonset = 116 °C) and lower activation energies (Ea ≈ 69-75 kJ/mol). The addition of microcapsules and complexes did not adversely alter the flexural strength and flexural modulus of the epoxy coatings. The adhesion strength of neat coating decreased from 6310.8 ± 31 to 4720.9 ± 60 kPa and percent healing increased from 50.83 to 67.45% in the presence of acetylacetonate complex at 10 wt% of microcapsules.
  11. Corrigendum to "Superior photoelectrocatalytic performance of ternary structural BiVO4/GQD/g-C3N4 heterojunction" [J. Col. Interf. Sci. 586 (2021) 785-796]
    Fakhrul Ridhwan Samsudin M, Ullah H, Tahir AA, Li X, Hau Ng Y, Sufian S
    J Colloid Interface Sci, 2021 Nov 15;602:900.
    PMID: 34088501 DOI: 10.1016/j.jcis.2021.04.096
  12. Fulltext DC-GAN-based synthetic X-ray images augmentation for increasing the performance of EfficientNet for COVID-19 detection
    Shah PM, Ullah H, Ullah R, Shah D, Wang Y, Islam SU, et al.
    Expert Syst, 2021 Oct 19.
    PMID: 34898799 DOI: 10.1111/exsy.12823
    Currently, many deep learning models are being used to classify COVID-19 and normal cases from chest X-rays. However, the available data (X-rays) for COVID-19 is limited to train a robust deep-learning model. Researchers have used data augmentation techniques to tackle this issue by increasing the numbers of samples through flipping, translation, and rotation. However, by adopting this strategy, the model compromises for the learning of high-dimensional features for a given problem. Hence, there are high chances of overfitting. In this paper, we used deep-convolutional generative adversarial networks algorithm to address this issue, which generates synthetic images for all the classes (Normal, Pneumonia, and COVID-19). To validate whether the generated images are accurate, we used the k-mean clustering technique with three clusters (Normal, Pneumonia, and COVID-19). We only selected the X-ray images classified in the correct clusters for training. In this way, we formed a synthetic dataset with three classes. The generated dataset was then fed to The EfficientNetB4 for training. The experiments achieved promising results of 95% in terms of area under the curve (AUC). To validate that our network has learned discriminated features associated with lung in the X-rays, we used the Grad-CAM technique to visualize the underlying pattern, which leads the network to its final decision.
  13. Fulltext Synthesis and Characterization of Carbon and Carbon-Nitrogen Doped Black TiO2 Nanomaterials and Their Application in Sonophotocatalytic Remediation of Treated Agro-Industrial Wastewater
    Rahman S, Nawaz R, Khan JA, Ullah H, Irfan M, Glowacz A, et al.
    Materials (Basel), 2021 Oct 18;14(20).
    PMID: 34683764 DOI: 10.3390/ma14206175
    The conventional open ponding system employed for palm oil mill agro-effluent (POME) treatment fails to lower the levels of organic pollutants to the mandatory standard discharge limits. In this work, carbon doped black TiO2 (CB-TiO2) and carbon-nitrogen co-doped black TiO2 (CNB-TiO2) were synthesized via glycerol assisted sol-gel techniques and employed for the remediation of treated palm oil mill effluent (TPOME). Both the samples were anatase phase, with a crystallite size of 11.09-22.18 nm, lower bandgap of 2.06-2.63 eV, superior visible light absorption ability, and a high surface area of 239.99-347.26 m2/g. The performance of CNB-TiO2 was higher (51.48%) compared to only (45.72%) CB-TiO2. Thus, the CNB-TiO2 is employed in sonophotocatalytic reactions. Sonophotocatalytic process based on CNB-TiO2, assisted by hydrogen peroxide (H2O2), and operated at an ultrasonication (US) frequency of 30 kHz and 40 W power under visible light irradiation proved to be the most efficient for chemical oxygen demand (COD) removal. More than 90% of COD was removed within 60 min of sonophotocatalytic reaction, producing the effluent with the COD concentration well below the stipulated permissible limit of 50 mg/L. The electrical energy required per order of magnitude was estimated to be only 177.59 kWh/m3, indicating extreme viability of the proposed process for the remediation of TPOME.
  14. An Overview of the Recent Progress in Polymeric Carbon Nitride Based Photocatalysis
    Humayun M, Ullah H, Tahir AA, Bin Mohd Yusoff AR, Mat Teridi MA, Nazeeruddin MK, et al.
    Chem Rec, 2021 Jul;21(7):1811-1844.
    PMID: 33887089 DOI: 10.1002/tcr.202100067
    Recently, polymeric carbon nitride (g-C3 N4 ) as a proficient photo-catalyst has been effectively employed in photocatalysis for energy conversion, storage, and pollutants degradation due to its low cost, robustness, and environmentally friendly nature. The critical review summarized the recent development, fundamentals, nanostructures design, advantages, and challenges of g-C3 N4 (CN), as potential future photoactive material. The review also discusses the latest information on the improvement of CN-based heterojunctions including Type-II, Z-scheme, metal/CN Schottky junctions, noble metal@CN, graphene@CN, carbon nanotubes (CNTs)@CN, metal-organic frameworks (MOFs)/CN, layered double hydroxides (LDH)/CN heterojunctions and CN-based heterostructures for H2 production from H2 O, CO2 conversion and pollutants degradation in detail. The optical absorption, electronic behavior, charge separation and transfer, and bandgap alignment of CN-based heterojunctions are discussed elaborately. The correlations between CN-based heterostructures and photocatalytic activities are described excessively. Besides, the prospects of CN-based heterostructures for energy production, storage, and pollutants degradation are discussed.
  15. Superior photoelectrocatalytic performance of ternary structural BiVO4/GQD/g-C3N4 heterojunction
    Samsudin MFR, Ullah H, Tahir AA, Li X, Ng YH, Sufian S
    J Colloid Interface Sci, 2021 Mar 15;586:785-796.
    PMID: 33198982 DOI: 10.1016/j.jcis.2020.11.003
    Herein, we performed an encyclopedic analysis on the photoelectrocatalytic hydrogen production of BiVO4/g-C3N4 decorated with reduced graphene oxide (RGO) or graphene quantum dots (GQDs). The differences between RGO and GQDs as an electron mediator was revealed for the first time in the perspective of theoretical DFT analysis and experimental validation. It was found that the incorporation of GQDs as an electron mediator promotes better photoelectrocatalytic hydrogen performance in comparison to the RGO. The addition of GQD can significantly improve the activity by 25.2 and 75.7% in comparison to the BiVO4/RGO/g-C3N4 and binary composite samples, respectively. Correspondingly, the BiVO4/GQD/g-C3N4 attained the highest photocurrent density of 19.2 mA/cm2 with an ABPE of 0.57% without the presence of any sacrificial reagents. This enhancement is stemming from the low photocharge carrier transfer resistance which was further verified via DFT study. The DFT analysis revealed that the BiVO4/GQD/g-C3N4 sample shared their electronic cloud density through orbital hybridization while the BiVO4/RGO/g-C3N4 sample show less mutual sharing. Additionally, the charge redistribution of the GQDs-composite at the heterostructure interface articulates a more stable and stronger heterojunction than the RGO-composite. Notably, this study provides new insights on the effect of different carbonaceous materials (RGO and GQDs) which are often used as an electron mediator to enhance photocatalytic activity.
  16. Fulltext Cutaneous leishmaniasis-Awareness, knowledge and practices among general population in rural and urban areas in Malakand region, Pakistan
    Khan W, Khan I, Ullah H, Zain SNM, Panhwar WA, Mehmood SA, et al.
    Braz J Biol, 2021;82:e238665.
    PMID: 33787717 DOI: 10.1590/1519-6984.238665
    Malakand region is an endemic area for cutaneous leishmaniasis (CL). However, there are limited number of studies of this disease in Pakistan. Therefore, a study was conducted to understand the level of awareness attitude and practice among the residents of Makaland towards CL and the disease vectors. This study adopted a cross-sectional approach with a total of 400 respondents (n=93 rural and n= 307 urban). Overall, the population in Malakand region (61.2%) were well-informed in the role of sand fly in transmitting diseases, but most lack knowledge on the vector's behavior and almost a quarter (24.5%) were unable to provide knowledge on proper control measures. Alarmingly, the practice and attitudes of the general population was not satisfactory as close to half (49.8%) of the population did adopt any control method. This study calls for increase in awareness through health education campaign to reduce the risk of cutaneous leishmaniasis outbreaks in the future.
  17. Rapid fabrication of oxygen defective α-Fe2O3(110) for enhanced photoelectrochemical activities
    Mohamad Noh MF, Ullah H, Arzaee NA, Ab Halim A, Abdul Rahim MAF, Mohamed NA, et al.
    Dalton Trans, 2020 Sep 14;49(34):12037-12048.
    PMID: 32869793 DOI: 10.1039/d0dt00406e
    Defect engineering is increasingly recognized as a viable strategy for boosting the performance of photoelectrochemical (PEC) water splitting using metal oxide-based photoelectrodes. However, previously developed methods for generating point defects associated with oxygen vacancies are rather time-consuming. Herein, high density oxygen deficient α-Fe2O3 with the dominant (110) crystal plane is developed in a very short timescale of 10 minutes by employing aerosol-assisted chemical vapor deposition and pure nitrogen as a gas carrier. The oxygen-defective film exhibits almost 8 times higher photocurrent density compared to a hematite photoanode with a low concentration of oxygen vacancies which is prepared in purified air. The existence of oxygen vacancies improves light absorption ability, accelerates charge transport in the bulk of films, and promotes charge separation at the electrolyte/semiconductor interface. DFT simulations verify that oxygen-defective hematite has a narrow bandgap, electron-hole trapped centre, and strong adsorption energy of water molecules compared to pristine hematite. This strategy might bring PEC technology another step further towards large-scale fabrication for future commercialization.
  18. Fulltext Synthesis, in vitro urease inhibitory potential and molecular docking study of benzofuran-based-thiazoldinone analogues
    Taha M, Rahim F, Ullah H, Wadood A, Farooq RK, Shah SAA, et al.
    Sci Rep, 2020 06 30;10(1):10673.
    PMID: 32606439 DOI: 10.1038/s41598-020-67414-7
    In continuation of our work on enzyme inhibition, the benzofuran-based-thiazoldinone analogues (1-14) were synthesized, characterized by HREI-MS, 1H and 13CNMR and evaluated for urease inhibition. Compounds 1-14 exhibited a varying degree of urease inhibitory activity with IC50 values between 1.2 ± 0.01 to 23.50 ± 0.70 µM when compared with standard drug thiourea having IC50 value 21.40 ± 0.21 µM. Compound 1, 3, 5 and 8 showed significant inhibitory effects with IC50 values 1.2 ± 0.01, 2.20 ± 0.01, 1.40 ± 0.01 and 2.90 ± 0.01 µM respectively, better than the rest of the series. A structure activity relationship (SAR) of this series has been established based on electronic effects and position of different substituents present on phenyl ring. Molecular docking studies were performed to understand the binding interaction of the compounds.
  19. A hysteresis-free perovskite transistor with exceptional stability through molecular cross-linking and amine-based surface passivation
    Kim HP, Vasilopoulou M, Ullah H, Bibi S, Ximim Gavim AE, Macedo AG, et al.
    Nanoscale, 2020 Apr 14;12(14):7641-7650.
    PMID: 32207472 DOI: 10.1039/c9nr10745b
    Organo-metal halide perovskite field-effect transistors present serious challenges in terms of device stability and hysteresis in the current-voltage characteristics. Migration of ions located at grain boundaries and surface defects in the perovskite film are the main reasons for instability and hysteresis issues. Here, we introduce a perovskite grain molecular cross-linking approach combined with amine-based surface passivation to address these issues. Molecular cross-linking was achieved through hydrogen bond interactions between perovskite halogens and dangling bonds present at grain boundaries and a hydrophobic cross-linker, namely diethyl-(12-phosphonododecyl)phosphonate, added to the precursor solution. With our approach, we obtained smooth and compact perovskite layers composed of tightly bound grains hence significantly suppressing the generation and migration of ions. Moreover, we achieved efficient surface passivation of the perovskite films upon surface treatment with an amine-bearing polymer, namely polyethylenimine ethoxylated. With our synergistic grain and surface passivation approach, we were able to demonstrate the first perovskite transistor with a complete lack of hysteresis and unprecedented stability upon continuous operation under ambient conditions. Added to the merits are its ambipolar transport of opposite carriers with balanced hole and electron mobilities of 4.02 and 3.35 cm2 V-1 s-1, respectively, its high Ion/Ioff ratio >104 and the lowest sub-threshold swing of 267 mV dec-1 reported to date for any perovskite transistor. These remarkable achievements obtained through a cost-effective molecular cross-linking of grains combined with amine-based surface passivation of the perovskite films open a new era and pave the way for the practical application of perovskite transistors in low-cost electronic circuits.
  20. Synthesis, in vitro alpha-glucosidase inhibitory potential of benzimidazole bearing bis-Schiff bases and their molecular docking study
    Rahim F, Zaman K, Taha M, Ullah H, Ghufran M, Wadood A, et al.
    Bioorg Chem, 2020 01;94:103394.
    PMID: 31699396 DOI: 10.1016/j.bioorg.2019.103394
    Voglibose and acarbose are distinguished α-glucosidase inhibitors used for controlling of diabetes mellitus. Unfortunately, these distinguished and clinically used inhibitors have also numerous side effects. Subsequently, there is still needed to develop safer therapy. Despite of a broad spectrum of biological importance of benzimidazole, it is occasionally evaluated for α-glucosidase activity. Current study deals with the synthesis and biological screening of benzimidazole bearing bis-Schiff bases (1-19) for their α-glucosidase inhibitory activity. All analogues exhibited excellent to good inhibitory potential (IC50 = 2.20 ± 0.1to 88.60 ± 1.70 µM) when compared with standard drug acarbose (IC50 = 38.45 ± 0.80 µM). A structure activity relationship has been established on the basis of electronic effects and position of different substituents present on phenyl ring. In order to rationalize the binding interactions of most active analogues with the active site of α-glucosidase enzyme, molecular docking study was conducted.
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