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Effect of layer sliding on the interfacial electronic properties of intercalated silicene/indium selenide van der Waals heterostructure

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Communications in Theoretical Physics 2022年第3期74卷 112-118页

作者： Masood Yousaf M W Younis Ahmed S Jbara M Junaid Iqbal Khan G murtaza M A saeed Department of Physics Division of Science and TechnologyUniversity of EducationLahore54770Pakistan Department of Chemistry University of Management and TechnologyC-IIJohar TownLahore54770Pakistan Mathematics Department College of Education for Pure ScienceAl-Muthanna UniversitySamawah66001Iraq Laboratory of Theoretical and Experimental Physics Department of PhysicsBahauddin Zakariya UniversityMultan60800Pakistan Materials Modelling Lab Department of PhysicsIslamia College PeshawarKPPakistan Department of Mathematics&Natural Sciences Prince Mohammad Bin Fahd UniversityP.O.Box 1664Alkhobar 31952Saudi Arabia

Methods capable of tuning the properties of van der Waals(vdW)layered materials in a controlled and reversible manner are highly *** electronic properties of two-dimensional vdW heterostructure consisting of silicene and indium selenide(InSe)have been calculated using density functional theory-based computational ***,in order to vary the aforementioned properties,silicene is slid over a InSe layer in the presence of Li *** intercalation of the heterostructure,the buckling parameter associated with the corrugation of silicene decreases from 0.44A to 0.36A,whereas the InSe structure remains *** energy scans reveal a significant increase in the sliding energy barrier for the case of intercalated heterostructure as compared with the unintercalated *** sliding of the silicene encounters the maximum energy barrier of 0.14 *** analysis shows the noteworthy differences between calculated in-plane and out-of-plane part of dielectric function.A variation of the planar average charge density difference,dipole charge transfer and dipole moment have been discussed to elucidate the usability spectrum of the *** employed approach based on intercalation and layer sliding can be effectively utilized for obtaining next-generation multifunctional devices.

关键词： vdW heterostructure intercalation tuning of properties layer sliding interfacial electronic properties

Electronic and thermoelectric properties of YbMg_(2)X_(2)(X=P,As,Sb,Bi)zintl compounds by first-principles method

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Journal of Rare Earths 2024年第1期42卷 147-154,I0006页

作者： Sajid Khan Dil Faraz Khan R.Neffati Tariq Usman Muhammad Waqar Ahsraf Shamim Khan saeed Ullah Jan G.murtaza Department of Physics University of Science&Technology BannuBannu28100Pakistan Department of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Laboratoire de Physique de La Matiere Condensee Departement de PhysiqueFaculte des Sciences de TunisUniversite Tunis El ManarCampus Universitaire1060TunisTunisia Department of Physics Shaoxing UniversityShaoxing312000China Department of Mathematics&Natural Sciences Prince Mohammad Bin Fahd UniversityAlkhobar31952Saudi Arabia Materials Modeling Lab Department of PhysicsIslamia College Peshawar25120KhyberPakhtunkhwaPakistan

In this work the structural,electronic and thermoelectric properties of YbMg_(2)X_(2)(X=P,As,Sb,Bi)zintl compounds were investigated comprehensively using first principles *** electronic properties were studied using PBE GGA,TB-mBJ and hybrid(YS-PBE0)*** the structural parameters of optimized structures are in harmonious agreement to the available *** band structure study illustrates that the titled materials manifest metallic and semi metallic nature using PBE and TB-mBJ potentials while they show wide band gap semiconducting behavior by following hybrid(YS-PBE0)*** density of states(TDOS)and partial density of states(PDOS)were also calculated to glimpse the contribution of orbitals of atoms in the formation of *** properties were studied by using BoltzTraP2 code employed to *** get enormous values of Seebeck coefficient(S),power factor(PF)and thermoelectric figure of merit(ZT)for all the samples YbMg_(2)X_(2)(X=P,As,Sb,Bi),Moreover,the overwhelming transport properties for the titled compounds indicate the optimum level of carriers’concentration which pinpoints these materials to be better thermoelectrics in the 1-2-2 zintl family.

关键词： Zintl compounds Hybrid functional Band structure Thermoelectrics Rare earths

Supramolecular Nanohelix Fabricated by Pillararene-Based Host–Guest System for Chirality Amplification, Transfer, and Circularly Polarized Luminescence in Water

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CCS Chemistry 2022年第10期4卷 3426-3439页

作者： Krishnasamy Velmurugan Adil murtaza Azhar saeed Jianing Li Kaiya Wang Minzan Zuo Qian Liu Xiao-Yu Hu College of Materials Science and Technology Nanjing University of Aeronautics and AstronauticsNanjing 211106 School of Physics MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed MatterXi’an Jiaotong UniversityXi’an 710049 State Key Laboratory for Mechanical Behaviour of Materials Shaanxi International Research Center for Soft MatterXi’an Jiaotong UniversityXi’an 710049

Amplified chirality and Förster resonance energy transfer(FRET)-assisted chirality transfer frommolecular to nanoscale level have been shown to play a vital role in co-assembled nanohelix for potential energy transfer in biological ***,we have constructed a chiral host–guest complex donor system for chiral amplification via induced chirality of pillar[5]arene host and loaded it with an achiral dye acceptor to demonstrate how chirality-assisted excitation energy transfer occurred in the supramolecular nanohelix system in an aqueous medium.

关键词： host–guest interaction supramolecular chirality chirality transfer circularly polarized luminescence supramolecular self-assembly

Role of a probiotic (Saccharomyces boulardii) in management and prevention of diarrhoea

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World Journal of Gastroenterology 2006年第28期12卷 4557-4560页

作者： AG Billoo MA Memon SA Khaskheli G murtaza Khalid Iqbal M saeed Shekhani Ahson Q Siddiqi Department of Pediatrics Aga Khan UniversityKarachiParkistan Department of Pathology Kharadar General HospitalKarachiParkistan Department of Pediatrics Kharadar General HospitalKarachiParkistan Consultant Pediatrician Kharadar General HospitalKarachiParkistan Medical Director Kharadar General HospitalKarachiParkistan Assistant Professor of Medicine Hamdard UniversityParkistan Director Medical and Regulatory Affairs Hilton Pharma (Pvt.) LtdParkistan

AIM： To assess the efficacy and safety of Saccharomyces boulardii （S. boulardii） in acute watery diarrhoea and its role in reducing the frequency of episodes of diarrhoea in subsequent two months. METHODS： Children from 2 mo to 12 years of age, with acute diarrhoea were selected according to inclusion criteria and randomised in S. boulardii group （treated with ORS, nutritional support and S. boulardii, 250 mg bid） and in control group （treated with ORS and nutritional support only）. Active treatment phase was 5 d and each child was followed for two months afterwards. Frequency and consistency of stools as well as safety of drug was assessed on every visit. A comparison of two groups was done in terms of number of diarrhoeal episode in subsequent two months. RESULTS： There were fifty patients in each group. Baseline characteristics such as mean age and the average frequency of stools were comparable in S. boulardii and control group at the time of inclusion in the trial. By d 3 it reduced to 2.7 and 4.2 stools per d respectively and by d 6 it reduced to 1.6 （5. boulardii Group） and 3.3 （control group）. The duration of diarrhoea was 3.6 d in S. boulardii group whereas it was 4.8 d in control group （P = 0.001）. In the following two months, S. boulardii group had a significantly lower frequency of 0.54 episodes as compared to 1.08 episodes in control group. The drug was well accepted and tolerated. There were no reports of the side effects during treatment period CONCLUSION： S. boulardii significantly reduces the frequency and duration of acute diarrhoea. The consistency of stool also improves. The drug is well-tolerated.

关键词： Acute watery diarrhoea Probiotic Saccharomyces boulardii Frequency of episodes of diarrhoea Weight gain

Intrinsic Bio-Enhancer Entities of <i>Fagonia cretica</i>for Synthesis of Silver Nanoparticles Involves Anti-Urease, Anti-Oxidant and Anti-Tyosinase Activity

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Advances in Bioscience and Biotechnology 2019年第12期10卷 455-468页

作者： Aqsa Yousaf Ayesha Zafar Muhammad Ali Snober Mona Bukhary Yasmeen Manzoor Tuba Tariq Asma saeed Muhammad Akram Faryal Bukhari Muhammad Abdullah Syeda Sadaf Zehra Shahbaz Gul Hassan murtaza Hasan Department of Biochemistry and Biotechnology The Islamia University Bahawalpur Pakistan Department of Biological Sciences Gomal University Dera Ismail Khan Pakistan Department of Chemistry The Islamia University Bahawalpur Pakistan Cholistan Institute of Desert Studies (CIDS) The Islamia University Bahawalpur Pakistan Department of Botany The Islamia University Bahawalpur Pakistan College of Information Science and Engineering Zhongkai University of Agriculture and Engineering Guangzhou China

Objective: Evaluating the bio-reducing activity and various potential, annotates the biological entitties of Fagonia cretica. Method: By fractionating the crude extract with different ethanol-water fraction mixture. This substantiates the reduction potential for the biological synthesis of AgNPs, its antioxidant, anti-urease and anti-Tyrosinase activity. Results: UV-visible spectra confirm the bio-reducing potential for Ag NPs with the optimized 50% ethanol-water fraction mixture. Transmission electron microscopy (TEM) confirmed the round shaped AgNPs with an average size of 16 nm in optimized 50% fraction mixture. Further evaluating Ethanol-water fraction with 90% and 70% of plant extract showed more potentials for Anti-Tyrosinase and Anti-urease activity. Moreover, diluted 30% fraction exhibits two folds higher Anti-oxidant and Anti urease activity. Conclusion: Overall, this work showed that 50% Ethanol-water fraction has potentially active molecules (among all fractions) primarily involved in bio-reducing potential of Ag NPs and enzymatic assay while 90% mixture proved to be least active. This study suggested electing the optimum mixture fraction of 50% ethanol-water in order to screen the bioactive compounds and to inculcate their activity status for clinical trials.

关键词： Bioactivity Fagonia cretica Nanoparticles Enzymes Assay Bio Reducing Agent