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Synthesis,Characterization,Biological and Docking Simulations of 4-(Benzylideneamino) Benzoic Acids

Chinese Journal of Structural Chemistry 2021年第3期40卷 291-300,271页

作者： hamid Aziz AAMER Saeed FARUKH Jabeen ABDUL Basit irfan Zia Qureshi ABDUL Aziz ATIF Haroon ASHFAQ Ur Rehman Department of Chemistry Quaid-I-Azam University Islamabad 45320 Pakistan Computation ScienceResearch and Development Organization14012485 Hurontraio StreetMississaugaONCaL5A2G6 Department of Biology Laurentian University935 Ramsey Lake RoadSudburyONCanada P3E2C6 Department of Animal Sciences Quaid-I-Azam University Islamabad 45320 Pakistan Department of Microbiology Quaid-I-Azam University Islamabad 45320 Pakistan Department of Biochemistry Shankar CampusAbdul Wali Khan UniversityMardan 23200Khyber PukhtoonkhwaPakistan Department of Bioinformatics and Biostatistics Shanghai Jiaotong UniversityShanghai 200240China

The present research paper presents the synthesis, characterization, biological and computational studies of 4-(benzylideneamino) benzoic acid derivatives(3a~3g). Derivatives 3a~3c displayed best antidiabetic potential with a glucose-lowering effect compared to the reference drug Glibenclamide. Biochemical parameters including plasma glucose, serum triglycerides, cholesterol, alanine amino transferase and aspartate amino transferase levels showed significant alterations in concentrations relative to the control. Similarly, the derivatives 3a, 3d and 3e displayed potent in vitro antibacterial potential. Molecular docking simulations delineated that the ligands and complexes were stabilized at the active site by electrostatic and hydrophobic forces, consistent with the corresponding experimental results. In silico study of the binding pattern predicted that the synthesized ligands, 3d and 3a could serve as a potential surrogate for hit-to-lead generation and the design of novel antibacterial drugs.

关键词： antidiabetic biochemical cholesterol glibenclamide simulations

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Reservoir Quality Assessment of the Upper Permian Chhidru Formation, Salt and Surghar Ranges, Pakistan

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Acta Geologica Sinica(English Edition) 2021年第6期95卷 2120-2137页

作者： Muhammad ZAHIR Muhammad AWAIS Mukhtiar GHANI Mohibullah MOHIBULLAH Osman SALAD HERSI irfan U.JAN Sajjad AHMAD hamid IQBAL Centre of Excellence in Mineralogy University of BalochistanQuetta 87300Pakistan Department of Geology University of SwabiAnbarKhyber Pakhtunkhwa 23561Pakistan Geological Survey of Pakistan HQQuetta 87300Pakistan Department of Geology University of BalochistanQuetta 87300Pakistan University of Regina Geology 3737 Wascana Parkway ReginaSaskatchewan S4S0A2Canada National Centre of Excellence in Geology University of PeshawarPeshawar 25000Pakistan Department of Geology University of PeshawarPeshawar 25000Pakistan Oil and Gas Development Company Islamabad 44800Pakistan

The Late Permian succession of the Upper Indus Basin in northeastern Pakistan is represented by the carbonatedominated Zaluch Group, which consists of the Amb, Wargal and Chhidru formations, which accumulated on the southwestern shelf of the Paleo-Tethys Ocean, north of the hydrocarbon-producing Permian strata of the Arabian Peninsula. The reservoir properties of the mixed clastic-carbonate Chhidru Formation(CFm) are evaluated based on petrography, using scanning electron microscopy(SEM), energy dispersive x-ray spectroscopy(EDX) and x-ray diffraction(XRD) techniques. The diagenetic features are recognized, ranging from marine(isopachous fibrous calcite, micrite), through meteoric(blocky calcite-I, neomorphism and dissolution) to burial(poikilotopic cement, blocky calcite-II-III, fractures, fracture-filling, and stylolites). Major porosity types include fracture and moldic, while inter-and intra-particle porosities also exist. Observed visual porosity ranges from 1.5%–7.14% with an average of 5.15%. The sandstone facies(CMF-4) has the highest average porosity of 10.7%, whereas the siliciclastic grainstone microfacies(CMF-3) shows an average porosity of 5.3%. The siliciclastic mudstone microfacies(CMF-1) and siliciclastic wacke-packestone microfacies(CMF-2) show the lowest porosities of 4.8% and 5.0%, respectively. Diagenetic processes like cementation, neomorphism, stylolitization and compaction have reduced the primary porosities;however, processes of dissolution and fracturing have produced secondary porosity. On average, the CFm in the Nammal Gorge, Salt Range shows promise and at Gula Khel Gorge, Trans-Indus, the lowest porosity.

关键词： sedimentary petrography diagenesis hydrocarbon reservoir Changhsingian Chhidru Formation Salt Range Surghar Range Pakistan

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A multiscale material model for heterogeneous liquid droplets in solid soft composites

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Frontiers of Structural and Civil Engineering 2021年第5期15卷 1292-1299页

作者： hamid GHASEMI Department of Mechanical Engineering Arak University of TechnologyArak 38181-41167Iran

Liquid droplets in solid soft composites have been attracting increasing attention in biological *** contrary with conventional composites,which are made of solid elastic inclusions,available material models for composites including liquid droplets are for highly idealized configurations and do not include all material real *** are also all deterministic and do not address the uncertainties arising from droplet radius,volume fraction,dispersion and *** research revisits the available models for liquid droplets in solid soft composites and presents a multiscale computational material model to determine their elastic moduli,considering nearly all relevant uncertainties and heterogeneities at different length *** effects of surface tension at droplets interface,their volume fraction,size,size polydispersity and agglomeration on elastic modulus,are *** micromechanical material models are incorporated into the presented computational *** results clearly indicate both softening and stiffening effects of liquid droplets and show that the model can precisely predict the effective properties of liquid droplets in solid soft composites.

关键词： liquid in solid soft composite computational modeling multiscale model heterogeneity

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Molecular dynamics simulation of structure H clathrate-hydrates of binary guest molecules

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Journal of Natural Gas Chemistry 2011年第6期20卷 577-584页

作者： hamid Erfan-Niya hamid Modarress Department of Chemical Engineering Amirkabir University of Technology

Molecular dynamics （MD） simulations are performed to study the stability of structure H clathrate-hydrates of methane＋large-molecule guest substance （LMGS） at temperatures of 270, 273, 278 and 280 K under canonical （NVT-） ensemble condition in a 3×3×3 structure H unit cell replica with 918 TIP4P water molecules. The studied LMGS are 2-methylbutane （2-MB）, 2,3-dimethylbutane （2,3-DMB）, neohexane （NH）, methylcyclohexane （MCH）, adamantane and tert-butyl methyl ether （TBME）. In the process of MD simulation, achieving equilibrium of the studied system is recognized by stability in calculated pressure for NVT-ensemble. So, for the accuracy of MD simulations, the obtained pressures are compared with the experimental phase diagrams. Therefore, the obtained equilibrium pressures by MD simulations are presented for studying the structure H clathrate-hydrates. The results show that the calculated temperature and pressure conditions by MD simulations are consistent with the experimental phase diagrams. Also, the radial distribution functions （RDFs） of host-host, host-guest and guest-guest molecules are used to analysis the characteristic configurations of the structure H clathrate-hydrate.

关键词： structure H clathrate-hydrate methane+large-molecule guest substance molecular dynamics stability radial distribution function

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Hematological Alterations in an Eastern Sudanese Chronic Kidney Disease Patient Population

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Open Journal of Urology 2024年第6期14卷 359-367页

作者： Mohammed Omer Abaker Gibreel Sundus Kamal Ibrahim Wijdan Abdel Aziz Hassan Manar Yahia Mahjoub Leyla Mohammed Kheir hamid Hibatellah Majzoub Abbas Nuha Fouzi Mohammed Secretariat of Academic Affairs Port Sudan Ahlia University Port Sudan Sudan Department of Hematology and Immunohematology College of Graduate Studies Port Sudan Ahlia University Port Sudan Sudan

Background: Chronic Kidney Disease (CKD), associated with a slow and progressive loss of kidney function over a period of several years, is an important clinical disaster with an increasing rate of morbidity and mortality especially in the least developed countries. Many hematological parameters are thought to alter dramatically during the course of the disease. These include white blood cells, red blood cells, and platelets. Methods: We tried, retrospectively, to evaluate the peripheral blood hematological alterations in a group of patients undergoing hemodialysis in an eastern Sudan dialysis center to add local medical information. Results: Anemia (Low hemoglobin and hematocrit) was detected in 94% of the patients’ group. Mean Erythrocyte count (3.32vs.4.76 (×109/L)), Hemoglobin concentration (9.4vs.13 (g/dl)), Hematocrit (28.7vs.38.7 (L/L)) and platelet count (296 vs. 238 (×109/L)) were significantly lower in the patients’ group than in the control group (P-values Conclusion: Five out of eight studied parameters (Red cell count, hemoglobin, hematocrit, mean cell hemoglobin concentration, and platelets count) have shown a significant alteration in CKD patients. As the complete blood count (CBC) test is the most utilized test in clinical laboratory practice, these alterations may be considered as early indicators for CKD. Furthermore, all patients with CKD must be routinely checked for these alterations.

关键词： Chronic Kidney Disease Chronic Renal Failure Hematological Alterations CBC Eastern Sudan Hemodialysis

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Application of consistent geometric decomposition theorem to dynamic finite element of 3D composite beam based on experimental and numerical analyses

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Frontiers of Structural and Civil Engineering 2020年第3期14卷 675-689页

作者： Iman FATTAHI hamid Reza MIRDAMADI hamid ABDOLLAHI Department of Mechanical Engineering Isfahan University of TechnologyIsfahan ***Iran

Analyzing static and dynamic problems including composite structures has been of high significance in research efforts and industrial *** this article,equivalent single layer approach is utilized for dynamic finite element procedures of 3D composite beam as the building block of numerous composite *** this model,both displacement and strain fields are decomposed into cross-sectional and longitudinal components,called consistent geometric decomposition ***,the model is discretized using finite clement *** local coordinate systems and a global one are defined to decouple mechanical degrees of ***,from the viewpoint of consistent geometric decomposition theorem,the transformation and element mass matrices for those systems are introduced here for the first *** same decomposition idea can be used for developing element stiffiness ***,comprehensive validations are conducted for the theory against experimental and numerical results in two case studies and for various conditions.

关键词： composite beam dynamic finite element degrees of freedom coupling experimental validation numerical validation

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Coal pillar mechanics of violent failure in U.S. Mines

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International Journal of Mining Science and Technology 2017年第3期27卷 387-392页

作者： Maleki hamid Maleki Technologies Inc. Spokane WA 99223 USA

This paper seeks to enhance the understanding that the horizontal stresses build up and release during coal pillar loading and unloading(post-failure) drawing upon three decades of observations, geomechanical monitoring and numerical modeling in bump-prone U.S. mines. The focus is on induced horizontal stress in mine pillars and surrounding strata as highly stressed pillars punch into the roof and floor, causing shear failure and buckling of strata; under stiff stratigraphic units of some western US mines, these events could be accompanied by violent failure of pillar cores. Pillar punching eventually results in tensile stresses at the base of the pillar, facilitating transition into the post-failure regime; this transition will be nonviolent if certain conditions are met, notably the presence of interbedded mudstones with low shear strength properties and proper mine designs for controlling seismicity and dynamic loads. The study clearly shows high confining stress build-up in coal pillars resulting in up to twice higher peak vertical stress and high strain energy accumulations in some western US mines in comparison with peak stresses predicted using common empirical pillar design methods. It is the unstable release of this strain energy that can cause significant damage resulting from pillar dilation and ground movements. These forces are much greater than the capacity of most common internal support systems, resulting in horizontal stressinduced roof falls locally, in mines under unremarkable far-field horizontal stress. Attention should be placed on pillar designs as increasing support density may prove to be ineffective. This mechanism is analyzed using field measurements and generic finite-difference stress analyses. The study confirms the higher load carrying capacity of confinement-controlled coal seams in comparison with structurally controlled coal seams. Such significant differences in confining stresses are not taken into account when estimating peak pil

关键词： Rockburst and coal bumps Field measurements Stress analysis Mechanics Horizontal stress

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Parallel resonance type fault current limiting circuit breaker

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High Voltage 2020年第1期5卷 76-82页

作者： hamid Radmanesh Seyed hamid Fathi Electrical Engineering Department Shahid Sattari Aeronautical University of Science and TechnologyTehranIran Electrical Engineering Department Amirkabir University of TechnologyTehranIran

The main goal of this study is introducing a novel fault current limiter based on parallel resonance structure(PRFCL)for high voltage *** normal mode,the PRFCL reactor is short-circuited via a rectifier bridge DC output voltage and LC resonance tank shows negligible impedance in the *** a fault,the rectifier bridge switches are turned off,so that the parallel resonance LC tank connects to the line with high *** impedance of the resonance structure can limit the fault current,*** is shown that the suggested PRFCL can act as a breaker and opens the line during the fault *** order to show the suggested PRFCL abilities,MATLAB software is used to simulate the normal and fault *** addition,a scale-down prototype is implemented to confirm the simulation *** comparative study shows that PRFCL has acceptable performance in normal and current limiting operation modes.

关键词： period fault limiting

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Assessment of fracture process in forta and polypropylene fiber-reinforced concrete using experimental analysis and digital image correlation

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Frontiers of Structural and Civil Engineering 2022年第12期16卷 1633-1652页

作者： Seyed hamid KALALI hamid ESKANDARI-NADDAF Seyed Ali EMAMIAN Department of Civil Engineering Hakim Sabzevari UniversitySabzevar ***Iran

This paper aims to characterize the evolution of the fracture process and the cracking behavior in fortaferro(FF)and polypropylene(PP)fiber-reinforced concrete under the uniaxial compressive loading using experimental analysis and digital image correlation(DIC)on the surface *** this purpose,6 mix designs,including two FF volume fractions of 0.10%,and 0.20%and three PP volume fractions of 0.20%,0.30%,and 0.40%,in addition to a control mix were evaluated according to compressive strength,modulus of elasticity,toughness index,and stress–strain *** influence of fibers on the microstructural texture of specimens was analyzed by scanning electron microscope(SEM)*** show that FF fiber-reinforced concrete specimens demonstrated increased ductility and strength compared to PP *** results revealed that the major crack and fracture appeared at the peak load of the control specimen due to brittleness and sudden gain of large lateral strain,while a gradual increase in micro-crack quantity at 75%of peak load was observed in the fiber specimens,which thenbegan to connect with each other up to the final *** accuracy of the results supports DIC as a reliable alternative for the characterization of the fracture process in fiber-reinforced concrete.

关键词： fiber-reinforced concrete forta-ferro and polypropylene fiber fracture process cracking behavior digital image correlation

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Entanglement detection in the mixed-spin Ising–XY model

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Chinese Physics B 2016年第3期25卷 73-83页

作者： hamid Arian Zad Department of Physics Shahrood University of Technology

In the present work, we initially verify anisotropy effect on the heat capacity of a mixed-three-spin （1/2,1,1/2） system （where spins （1/2,1/2） have XY interaction and spins （1,1/2） have Ising interaction together） at finite temperatures, then, the pairwise entanglement for spins （1/2,1/2）, by means of negativity （as a measure of entanglement） as a function of the temperature T, homogeneous magnetic field B, and anisotropy parameter 7 is investigated. In addition, we show that one can find magnetic phase transition points for the spins （1/2,1/2） at finite temperatures and understand properly their behavior with respect to the magnetic field and the anisotropy parameter, via the negativity function. An interval of the magnetic field from the negativity diagram of the spins （1/2,1/2） is presented in which quantum phase transition occurs for the tripartite mixed-three-spin system. FinaUy, some new interesting entanglement witnesses are introduced by using non-degenerate perturbation theory for the mixed-three-spin system.

关键词： anisotropy negativity heat capacity witness

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