Publications by authors named "Danish Khan"

Dual-atom catalysts (DACs) driven by peroxymonosulfate (PMS) activation have demonstrated significant potential for addressing the inherent scaling relationship limitation of reaction intermediates, but in-depth mechanistic insight into synergistic interactions between dual-metal sites remains elusive. The Fe-Mn DAC has been designed with the largest electronegativity difference among Fe-based metal pairs to enhance electron transfer and synergistic interactions. The Fe-Mn DAC exhibits exceptional catalytic performance for bisphenol A (BPA) degradation, achieving a reaction rate constant () of 1.

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Introduction: Clinicians have several imaging options to evaluate suspected or confirmed small bowel Crohn's disease (SB-CD), including computed tomography enterography (CTE), magnetic resonance enterography (MRE), intestinal ultrasound (IUS), and video capsule endoscopy (VCE).

Methods: Direct head-to-head comparative analysis and network meta-analysis were conducted on all available modalities using a random effects model. Furthermore, each modality was ranked using the surface under the cumulative ranking curve approach (P-score).

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Perovskite solar cells show immense promise for approaching the Shockley-Queisser limit with a theoretical power conversion efficiency (PCE) of more than 30%. However, their practical implementation remains constrained by crystal phase impurities and the suboptimal performance of the perovskite photoactive layer, where uncontrolled crystallization and residual PbI impede charge transport and stability. To address these challenges, we introduce a novel seed-mediated crystallization approach utilizing 1,3-dimethylimidazolium chloride (DMIMCl) and 1-ethyl-3-methylimidazolium chloride (EMIMCl) to convert residual PbI into strain-tolerant low-dimensional (LD) DMIMPbI and LD EMIMPbI, respectively.

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Background: Rebleeding is a major challenge and a serious complication of non-variceal upper gastrointestinal bleeding (NVUGIB). Prophylactic transcatheter arterial embolization (P-TAE) has emerged as a potential management strategy for high-risk cases. This study aimed to evaluate the efficacy and safety of P-TAE compared with no embolization (NE) in the absence of angiographic evidence of bleeding or therapeutic arterial embolization (TAE).

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Despite the rapid efficiency advancement of perovskite solar cells (PSCs), non-radiative recombination at the buried interface between self-assembled monolayers (SAMs) and perovskite remains a critical bottleneck, primarily due to interfacial defects and energy level mismatch. In this study, we demonstrate a bifunctional interlayer engineering strategy by introducing 4,5-diiodoimidazole (4,5-Di-I) at the Me-4PACz/perovskite interface. This approach uniquely addresses two fundamental limitations of SAM-based interfaces: the insufficient defect passivation capability of conventional Me-4PACz due to steric hindrance effects and the poor perovskite wettability on hydrophobic SAM surfaces that exacerbates interfacial voids.

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Aims: Nasal septal deviation (NSD) is one of the most common structural abnormalities contributing to nasal obstruction, which significantly affects patients' quality of life. Septoplasty is the surgical procedure of choice to correct NSD. Traditionally performed via an open approach, endoscopic septoplasty has emerged as a minimally invasive alternative.

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Addressing the critical challenges of interfacial defects and insufficient stability in perovskite solar cells, this work introduces a co-solvent engineering strategy to dynamically regulate the phenethylammonium chloride (PEACl) passivation layer. The effect of isopropyl alcohol (IPA) and a DMSO: IPA (1:100) mixture as solvent for forming the PEACl 2D passivation layer is systematically explored, and the synergistic interplay between solvent coordination strength and crystallization kinetics is systematically investigated. The DMSO: IPA (1:100) blend balances Pb-O coordination (via DMSO) and rapid phase separation (via IPA), enabling the oriented growth of a dense, ultrathin 2D perovskite overlayer.

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How lipids are sorted between intracellular compartments and what mechanisms support inter-organellar lipid transport define questions that have enjoyed long-standing interest in the cell biology community. Despite tantalizing evidence to the effect that lipids can move between organelles independently of standard modes of vesicular membrane trafficking through the secretory pathway, biochemical dissection of these non-vesicular pathways was initially fraught with experimental challenges. Many of the obstacles have now been overcome and, following initial breakthroughs, the last two decades have witnessed a renaissance in the field of lipid trafficking.

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The contemporary diagnosis of Major Depressive Disorder (MDD) primarily relies on subjective assessments and self-reported measures, often resulting in inconsistent and imprecise evaluations. To address this issue and facilitate early intervention, there is a growing interest in utilizing objective criteria such as Electroencephalography (EEG) features analyzed through Artificial Intelligence (AI) techniques. This systematic review explores the advances in EEG-based detection of MDD using both shallow and deep learning methods, with the aim of enhancing understanding of the neural mechanisms underlying the disorder and identifying potential biomarkers for its diagnosis.

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Atomistic simulations are routinely employed in academia and industry to study the behavior of molecules, materials, and their interfaces. Central to these simulations are force fields (FFs), whose development is challenged by intricate interatomic interactions at different spatio-temporal scales and the vast expanse of chemical space. Machine learning (ML) FFs, trained on quantum-mechanical energies and forces, have shown the capacity to achieve sub-kcal (mol Å) accuracy while maintaining computational efficiency.

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We present the second part of the rigorous evaluation of modern machine learning force fields (MLFFs) within the TEA Challenge 2023. This study provides an in-depth analysis of the performance of MACE, SO3krates, sGDML, SOAP/GAP, and FCHL19* in modeling molecules, molecule-surface interfaces, and periodic materials. We compare observables obtained from molecular dynamics (MD) simulations using different MLFFs under identical conditions.

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Exact exchange contributions significantly affect electronic states, influencing covalent bond formation and breaking. Hybrid density functional approximations, which average exact exchange admixtures empirically, have achieved success but fall short of high-level quantum chemistry accuracy due to delocalization errors. We propose adaptive hybrid functionals, generating optimal exact exchange admixture ratios on the fly using data-efficient quantum machine learning models with negligible overhead.

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Introduction: Excessive alcohol consumption negatively impacts physical and psychiatric health, lifestyle, and societal interactions. Chronic alcohol abuse alters brain structure, leading to alcohol use disorder (AUD), a condition requiring early diagnosis for effective management. Current diagnostic methods, primarily reliant on subjective questionnaires, could benefit from objective measures.

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We introduce the alchemical harmonic approximation (AHA) of the absolute electronic energy for charge-neutral iso-electronic diatomics at fixed interatomic distance d0. To account for variations in distance, we combine AHA with this ansatz for the electronic binding potential, E(d)=(Eu-Es)Ec-EsEu-Esd/d0+Es, where Eu, Ec, Es correspond to the energies of the united atom, calibration at d0, and the sum of infinitely separated atoms, respectively. Our model covers the two-dimensional electronic potential energy surface spanned by distances of 0.

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Numerous individuals encounter challenges in verbal communication due to various factors, including physical disabilities, neurological disorders, and strokes. In response to this pressing need, technology has actively pursued solutions to bridge the communication gap, recognizing the inherent difficulties faced in verbal communication, particularly in contexts where traditional methods may be inadequate. Electroencephalogram (EEG) has emerged as a primary non-invasive method for measuring brain activity, offering valuable insights from a cognitive neurodevelopmental perspective.

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Autism Spectrum Disorder(ASD) is a type of neurological disorder that is common among children. The diagnosis of this disorder at an early stage is the key to reducing its effects. The major symptoms include anxiety, lack of communication, and less social interaction.

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This systematic literature review explores the intersection of neuroscience and deep learning in the context of decoding motor imagery Electroencephalogram (EEG) signals to enhance the quality of life for individuals with motor disabilities. Currently, the most used non-invasive method for measuring brain activity is the EEG, due to its high temporal resolution, user-friendliness, and safety. A Brain Computer Interface (BCI) framework can be made using these signals which can provide a new communication channel to people that are suffering from motor disabilities or other neurological disorders.

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Metal ion intercalation into van der Waals gaps of layered materials is vital for large-scale electrochemical energy storage. Transition-metal sulfides, ABS (where A and B represent Zr, Hf, and Ti as monolayers as anodes), are examined as lithium and sodium ion storage. Our study reveals that these monolayers offer exceptional performance for ion storage.

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Interest in single-atom catalysts (SACs) has surged due to their potential to mitigate greenhouse NO gas from the environment. In this study, we explore the potential of NO reduction using porous 3D phosphorus graphdiyne decorated with an Al atom (3D-Al/PGDYN) through density functional theory. Results confirm the energetic stability of Al decorations on 3D-PGDYN and indicate that the Al atom plays an active role in catalysis.

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Introduction: This study aimed to focus on the identification, rearing, and exploration of developmental variants of the predatory ladybird, L., renowned for its efficacy as a biological control agent and its predation on agricultural pests. However, comprehensive knowledge concerning the occurrence and characteristics of developmental variants in this species remains limited.

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Introduction: Osteochondromas are benign bone tumors common in metaphyseal ends of long bones like distal femur and are relatively uncommon in flat bones such as scapula. Patients usually present with either a visual deformity requiring treatment for cosmetic reason or present with mechanical symptoms hindering activities of daily living. The tumor is mostly benign and malignant transformation is rarely seen.

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The ribosome-associated quality control (RQC) pathway resolves stalled ribosomes. As part of RQC, stalled nascent polypeptide chains (NCs) are appended with CArboxy-Terminal amino acids (CAT tails) in an mRNA-free, non-canonical elongation process. CAT tail composition includes Ala, Thr, and potentially other residues.

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Background: Deep-learning (DL) methods are rapidly changing the way researchers classify neurological disorders. For example, combining functional magnetic resonance imaging (fMRI) and DL has helped researchers identify functional biomarkers of neurological disorders (e.g.

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Article Synopsis
  • - The text is a detailed review highlighting the potential of isatin, an organic compound, and its recent advancements in various fields.
  • - It emphasizes isatin's applications in medicinal chemistry, fluorescence sensing, and organic synthesis, showcasing recent breakthroughs.
  • - The review also focuses on isatin-based chemosensors, which have demonstrated high precision in detecting various cations and anions, making it an essential resource for researchers in sensing and organic chemistry.
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The lockdown enforced amid the COVID-19 pandemic has affected the occurrence and trends of various respiratory virus infections, with a particular focus on influenza. Our study seeks to analyze the repercussions of the COVID-19 pandemic on the positivity of the influenza virus throughout a 4-year span, encompassing both the pre-COVID-19 era (2018 and 2019) and the COVID-19 period (2020 and 2021). Data collected from patients clinically diagnosed with Influenza-like Illness and Severe Acute Respiratory Illness (SARI) from January 2018 to December 2021 for influenza virus detection were acquired and analyzed through multiplex RT-qPCR.

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