1,532 research outputs found
A Fast and Accurate Process Variation-aware Modeling Technique for Resistive Bridge Defects
No full textRecent research has shown that tests generated without taking process variation into account may lead to loss of test quality. At present there is no efficient device-level modeling technique that models the effect of process variation on resistive bridge defects. This paper presents a fast and accurate technique to achieve this, including modeling the effect of voltage and temperature variation using BSIM4 transistor model. To speedup the computation time and without compromising simulation accuracy (achieved through BSIM4) two efficient voltage approximation algorithms are proposed for calculating logic threshold of driven gates and voltages on bridged lines of a fault-site to calculate bridge critical resistance. Experiments are conducted on a 65-nm gate library (for illustration purposes), and results show that on average the proposed modeling technique is more than 53 times faster and in the worst case, error in bridge critical resistance is 2.64% when compared with HSPICE
Diorganotin(IV) Complexes with Monohydrate Disodium Salt of Iminodiacetic Acid: Synthesis, Characterization, Crystal Structure and Biological Activities
No full textDiorganotin(IV) derivatives have been synthesized by the reaction of R 2 SnL 2 (R = n-Bu 1, Ph 2) with monohydrate disodium salt of iminodiacetic acid (Na 2 L) in 1:1 M/L ratio under reflux conditions. The compounds have been characterized by FT-IR, NMR ( 1 H and
13 C) spectoscopy, electron ionization mass spectrometry (EIMS), thermogravimetric analyses (TGA) and single crystal XRD. FTIR data indicates a mono-dentate binding mode of the carboxylic acid group as well as participation of the amino nitrogen and aqua oxygen in coordination with organotin(IV) moieties. NMR data demonstrates a tetra-coordinated environment around tin(IV) in solution. Mass spectrometric and thermogravimetric analyses verify the close similarities between the molecular structures of both complexes. The thermal stability of diphenyltin(IV) derivative (2) was found slightly higher than that of the free ligand (Na 2 L). Single crystal X-ray analysis of the complex 1 have shown a hexa-coordinated geometry around Sn(IV) with trans configuration. There are evidences for the existence of intermolecular hydrogen bonding in the structure of the complexes. The products displayed significant antibacterial and antifungal activities in contrast to the biologically inactive ligand precursor. However, the hemolytic cytoxicity of the complexes was comparatively high than the free ligand
sj-docx-1-npx-10.1177_1934578X211031148 - Supplemental material for Antileishmanial Potential of Berberine Alkaloids From <i>Berberis glaucocarpa</i> Roots: Molecular Docking Suggests Relevant <i>Leishmania</i> Protein Targets
No full textSupplemental material, sj-docx-1-npx-10.1177_1934578X211031148 for Antileishmanial Potential of Berberine Alkaloids From Berberis glaucocarpa Roots: Molecular Docking Suggests Relevant Leishmania Protein Targets by Muhammad Alamzeb, Saqib Ali, Mamoon-Ur-Rashid, Behramand Khan, Ihsanullah, Adnan, Muhammad Omer, Asad Ullah, Javed Ali, William N. Setzer, Syed M. Salman, Ajmal Khan and Akram Shah in Natural Product Communications</p
Synthesis, spectroscopic characterization, crystal structure, interaction with DNA, CTAB as well as evaluation of biological potency, docking and Molecular Dynamics studies of N-(3,4,5-trimethoxybenzylidene)-2, 3-dimethylbenzenamine
No full textA novel N-substituted Schiff base ligand: N-(3,4,5-trimethoxybenzylidene)-2,3-dimethylbenzenamine was designed and successfully characterized by several spectroscopic techniques. The formation of the desired compound was confirmed by the appearance of C[dbnd]N peak at 1691 cm−1 in FT-IR spectrum. Similarly, in 1H and 13C NMR spectra, the peaks at 8.22 ppm for azomethine proton (HC[dbnd]N) and 158.8 ppm for azomethine carbon (C[dbnd]N) confirm the formation of the synthesized compound. DNA interaction of the compound was screened by using UV–visible spectroscopy and viscometry measurements confirming an intercalation mode. The interaction of compound with CTAB (Cetyl trimethylammonium bromide) was also studied by conductometric method showing a strong interaction with CTAB. The IC50 value of the current compound was highly efficacious upon comparison with the standard Glucantime used. This activity represents a higher multitude interaction, which might be a cause of enhanced antileishmanial activity. Cytotoxicity results showed that this compound is highly active even at lower concentrations and is biocompatible, making it a promising drug candidate for further investigations in this field. The experimental data were auxiliary supported by molecular docking studies in order to explore their binding behavior and the stability of the molecule due to its interaction within the receptor active site
CCDC 993777: Experimental Crystal Structure Determination
No full textRelated Article: Shaukat Shujah, Saqib Ali, Nasir Khalid, Niaz Muhammad, Auke Meetsma, Abdul Wadood, Huma Khan|2022|Polyhedron|215|115678|doi:10.1016/j.poly.2022.11567
sj-docx-2-npx-10.1177_1934578X211031148 - Supplemental material for Antileishmanial Potential of Berberine Alkaloids From <i>Berberis glaucocarpa</i> Roots: Molecular Docking Suggests Relevant <i>Leishmania</i> Protein Targets
No full textSupplemental material, sj-docx-2-npx-10.1177_1934578X211031148 for Antileishmanial Potential of Berberine Alkaloids From Berberis glaucocarpa Roots: Molecular Docking Suggests Relevant Leishmania Protein Targets by Muhammad Alamzeb, Saqib Ali, Mamoon-Ur-Rashid, Behramand Khan, Ihsanullah, Adnan, Muhammad Omer, Asad Ullah, Javed Ali, William N. Setzer, Syed M. Salman, Ajmal Khan and Akram Shah in Natural Product Communications</p
Organotin(iv) based anti-HCV drugs: synthesis, characterization and biochemical activity
No full textThree new organotin( IV ) carboxylates (1–3) of 3,5-dimethylbenzoate, have been synthesized and charac-
terized by elemental analysis, FT-IR, multinuclear NMR ( 1 H,
13 C and 119 Sn), mass spectrometry and single
crystal X-ray structural analysis. Crystallographic data show that in compounds 1 and 2, the geometry at
the central Sn atom is skew-trapezoidal bipyramidal while compound 3 displays a distorted trigonal bipyr-
amidal coordination geometry. In the case of compounds 1 and 2, the asymmetric chelating mode of the
carboxylate groups is reflected in the unequal C–O bond distances, those observed for the O1 and O3
oxygen atoms being significantly longer than those found in the O2 and O4 atoms. In the case of com-
pound 3, the carboxylate groups bridge asymmetrically adjacent tin atoms in an anti–syn mode generat-
ing polymeric zigzag chains running parallel to the crystallographic c-axis. The compounds were
screened for anti-HCV (hepatitis C virus) potency by the Gaussia luciferase assay using infected Huh
7.5 cells (human hepatocellular cell). Structure–activity relationship studies led to the identification of di-
butyltin( IV )bis(3,5-dimethylbenzoic acid) (compound 1) as a potent HCV inhibitor, with logIC 50 values
equal to 0.69 nM in the cell-based assay. Compound 1 was further subjected to quantitative analysis
using real-time PCR assays and viral RNA count vs. drug concentration confirmed the Gaussia luciferase
assay results. The HCV RNA targeting mode of the compounds (1–3) was confirmed by a compound–
DNA interaction study. The compounds (1–3)–DNA interactions were investigated by UV–vis spec-
troscopy and viscometry. The hypochromic effect in spectroscopy evidenced an intercalative mode of
interaction with the binding affinity in the order of 1 > 3 > 2
CCDC 993778: Experimental Crystal Structure Determination
No full textRelated Article: Shaukat Shujah, Saqib Ali, Nasir Khalid, Niaz Muhammad, Auke Meetsma, Abdul Wadood, Huma Khan|2022|Polyhedron|215|115678|doi:10.1016/j.poly.2022.11567
CCDC 993776: Experimental Crystal Structure Determination
No full textRelated Article: Shaukat Shujah, Saqib Ali, Nasir Khalid, Niaz Muhammad, Auke Meetsma, Abdul Wadood, Huma Khan|2022|Polyhedron|215|115678|doi:10.1016/j.poly.2022.11567
CCDC 895718: Experimental Crystal Structure Determination
No full textRelated Article: Zia-ur- Rehman, Muhammad Moazzam Naseer, Afzal Shah, Saqib Ali and Auke Meetsma|2015|Heteroat.Chem.|26|123|doi:10.1002/hc.21222,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.
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