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Chinese Journal of Structural Chemistry 2018年第8期37卷 1250-1258页

作者： HAMID Aziz AAMER Saeed FARUKH Jabeen ULRICH Florke qurat-Ul-ain NADHMAN Akhter Department of Chemistry Quaid-I-Azam University Islamabad 45320 Pakistan Cardiovascular and Metabolic Research Unit Laurentian University 935 Ramsey Lake Road Sudbury ON Canada P3E 2C6 Department Chemie Fakultatfur Naturwissenschafien Universitat Paderborn Warburgerstrαβe 100 33098 Paderborn Germany Center for Interdisciplinary Research in Basic Sciences IIU Islamabad Pakistan

Chalcone derivatives are of immense importance owing to their superior pharmacological profile. Minor changes in their structures create high degree of diversity that results in a broader spectrum of biological activities. The present research paper presents the synthesis of 3-（4-chloro-3-nitrophenyl）-1-phenylprop-2-en-1-one chalcone（I）, single crystal XRD analysis and the evaluation of its possible biological activities like cytotoxic（LD（50） = 5.40 ug/m L）and antileishmanial（LD（50） = 0.81 ug/m L） activities. The results indicate the tested chalcone（I）shows superior inhibition values against leishmanial promastigotes. Further, the possible interaction sites of chalcone（I） with Try R enzyme involved in the redox metabolism of the leishmanial parasite were determined using docking simulation technique. Docking computations demonstrate that the compound establishes prominent binding interactions with the key residues of Try R and possesses the potential to effectively inhibit the catalytic activities of enzyme. Thus the results suggest that the chalcone（I） can serve as a potential scaffold for the treatment of leishmaniasis and deserve further development.

关键词： chalcone cytotoxicity antfleishmanial Claisen-Schmidt condensation moleculardocking

Canted antiferromagnetic and optical properties of nanostructures of Mn_2O_3 prepared by hydrothermal synthesis

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Chinese Physics B 2012年第11期21卷 441-447页

作者： qurat-ul-ain Javed Wang Feng-Ping M.Yasir Rafique Arbab Mohammad toufiq M.Zubair Iqbal Department of Physics School of Mathematics and PhysicsUniversity of Science and Technology Beijing

We have reported new magnetic and optical properties of Mn2O3 nanostructures. The nanostructures have been synthesized by the hydrothermal method combined with the adjustment of pH values in the reaction system. The particular characteristics of the nanostructures have been analyzed by employing X-Ray diffraction （XRD）, scanning electron microscopy （SEM）, energy dispersive X-ray （EDX） analysis, transmission electron microscopy （TEM）, high resolution transmission electron microscopy （HRTEM）, Raman spectroscopy （RS）, UV-visible spectroscopy, and the vibrating sample magnetometer （VSM）. Structural investigation manifests that the synthesized Mn2O3 nanostructures are orthorhombic crystal. Magnetic investigation indicates that the Mn2O3 nanostructures are antiferromagnetic and the antiferromagnetic transition temperature is at TN = 83 K. Furthermore, the Mn2O3 nanostructures possess canted antiferromagnetic order below the Neel temperature due to spin frustration, resulting in hysteresis with large coercivity （1580 Oe） and remnant magnetization （1.52 emu/g）. The UV-visible spectrophotometry was used to determine the transmittance behaviour of Mn203 nanostructures. A direct optical band gap of 1.2 eV was acquired by using the Davis-Mott model. The UV-visible spectrum indicates that the absorption is prominent in the visible region, and transparency is more than 80% in the UV region.

关键词： Mn2O3 orthorhombic nanocrystals UV transparency canted antiferromagnetic property

Dual pH and microbial-sensitive galactosylated polymeric nanocargoes for multi-level targeting to combat ulcerative colitis

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Asian Journal of Pharmaceutical Sciences 2023年第4期18卷 124-141页

作者： Mahira Zeeshan qurat Ul ain Benno Weigmann Darren Story Bryan R.Smith Hussain Ali Department of Pharmacy Faculty of Biological SciencesQuaid-i-Azam UniversityIslamabad 45320Pakistan Department of Medicine 1 University of Erlangen-NurembergKussmaul Campus for Medical ResearchErlangen 91052Germany Biomedical Engineering Department Michigan State UniversityEast Lansing 48824USA Institute for Quantitative Health Science and Engineering Michigan State UniversityEast Lansing 48824USA Faculty of Pharmacy Capital University of Science and TechnologyIslamabad 44000Pakistan

Ulcerative colitis(UC)is a type of inflammatory bowel disease characterized by inflammation,ulcers and irritation of the mucosal *** drug delivery in UC encounters challenges because of multifaceted ***-loaded galactosylated-PLGA/Eudragit S100/pullulan nanocargoes(Dexa-GP/ES/Pu NCs)have been developed with a dual stimuli-sensitive coating responsive to both colonic pH and microbiota,and an underneath galactosylated-PLGA core(GP).The galactose ligand of the GP preferentially binds to the macrophage galactose type-lectin-C(MGL-2)surface ***,both stimuli and ligand-mediated targeting facilitate nanocargoes to deliver Dexa specifically to the colon with enhanced macrophage *** emulsion method coupled with a solvent evaporation coating technique was employed to prepare Dexa-GP/ES/Pu *** nanocargoes were tested using in vitro,ex vivo techniques and dextran sodium sulfate(DSS)induced UC *** nanocargoes had desired physicochemical properties,drug release,cell uptake and cellular *** using a DSS-colitis model showed high localization and mitigation of colitis with downregulation of NF-ĸB and COX-2,and restoration of clinical,histopathological,biochemical indices,antioxidant balance,microbial alterations,FTIR spectra,and epithelial junctions’***,Dexa-GP/ES/Pu NCs found to be biocompatible nanocargoes capable of delivering drugs to the inflamed colon with unique targeting properties for prolonged duration.

关键词： Galactosylated nanocargoes pH-sensitive drug delivery Pullulan Microbial sensitive Ulcerative colitis Macrophage galactose type-lectin C

Pre-oxidative catalytic treatment of toluidine blue with potassium permanganate in acidic solution

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中国化学前沿:英文版 2011年第2期6卷 84-90页

作者： Rafia AZMAT Faryal Vali MOHAMMED Tehseen AHMED qurat-ul-ain TANWIR Department of Chemistry University of KarachiKarachi 75270Pakistan International Chemical and Biological Sciences Center H.E.J Reaseach Institute of ChemistryUniversity of KarachiKarachi 75270Pakistan Department of Chemistry Jinnah University for WomenKarachi 74600Pakistan

This article describes the potential of KMnO4 for oxidation of the thiazine dye(Toluidine blue TB)in an acidic *** effect of different operational parameters like initial concentration of dye,potassium permanganate,pH,ionic strength,catalyst,acids and temperature were investigated spectrophotometrically at λ_(max)=613 *** results showed a complete removal of the TB with mineralization of the dye *** and complete decoloration was observed in the presence of monobasic acid(HCl)as compared to the H_(2)SO_(4) where little color removal was *** was found to be an effective catalyst in oxidation for complete and fast decolorization with *** significant change at elevated temperatures showed that an intermediate complex degraded with slight change in the ***/visible spectrophotometry and GC mass analysis showed an intermediate activated complex demethylated sulophooxide of TB which later on degraded into smaller fragments.

关键词： oxidation TB potassium permanganate decoloration Pb

Transitioning patients with inflammatory bowel disease from hospital-based to rapid home-based infliximab: A stepwise, safety and patient-orientated process towards sustainability

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World Journal of Gastroenterology 2020年第36期26卷 5437-5449页

作者： Anuj Bohra qurat-Al-ain Rizvi Charlotte Yuen Yu Keung Abhinav Vasudevan Daniel R van Langenberg Department of Gastroenterology Eastern HealthBox Hill 3128VictoriaAustralia Eastern Health Clinical School Monash UniversityBox Hill 3128VictoriaAustralia

BACKGROUND Infliximab and other intravenous biologic infusions are increasingly used for chronic disorders like inflammatory bowel disease(IBD).Rapid infliximab and home-based infusions are attractive solutions to address resource and capacity issues for infusion centres,yet infliximab infusion reactions reportedly occur in up to 25%of patients with IBD,even at the manufacturers’recommended infusion duration of 2 *** To evaluate the safety,cost and patient satisfaction of transitioning from hospitalbased,standard 2 h to rapid home-based,30-min infliximab *** All patients receiving rapid infliximab infusions for IBD between 2014 to 2017(39 mo)were compared with those who received standard two-hour IFX infusions between 2005-2013(96 mo)at a single IBD ***(per-infusion and perindividual)including adverse drug reactions(ADR),duration(based on needledeparture time)and other clinical data were extracted from electronic medical *** logistical regression analysis assessed factors potentially associated with increased risk of ADRs to rapid *** primary outcome was the safety[as per relative risk(RR)of (ADR)of(1)rapid 30 m infusions(both hospital-and home-based)vs standard 2 h infliximab ***,relative cost per infusion and patient satisfaction and productivity were evaluated in rapid infusion recipients who transitioned to home-based *** Of 129 patients who received 1461 rapid IFX infusions(2014-2017)were compared with 169 patients who received 2214 standard IFX infusions(2005-2013).Within the rapid cohort,55(42.6%)were males,median age 42 years(range 18,86),114(84%)had Crohn’s disease(CD)with a median disease duration 5 years(0,36).Median needle to departure time was higher in the standard than the rapid protocol group,108(70,253)vs 50(33,90)min,(P<0.001),with a per infusion cost of$AUD 107.50 vs$49.77,respectively(both P<0.001).There was no difference in median infusion duration or costs between rapi

关键词： Inflammatory bowel disease Infliximab Safety Cost Therapy Drug reaction

Growth of monodisperse nanospheres of MnFe_2O_4 with enhanced magnetic and optical properties

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Chinese Physics B 2013年第10期22卷 453-459页

作者： M.Yasir Rafique 潘礼庆 qurat-ul-ain Javed M.Zubair Iqbal 邱红梅 M.Hassan Farooq 郭振刚 M.Tanveer College of Science and Research Institute for New Energy China Three Gorges University Department of Physics University of Science and Technology of Beijing School of Material Science and Engineering University of Science and Technology of Beijing Research Center of Materials Science Beijing Institute of Technology

Highly dispersive nanospheres of MnFe204 are prepared by template free hydrothermal method. The nanospheres have 47.3-nm average diameter, narrow size distribution, and good crystallinity with average crystallite size about 22 nm. The reaction temperature strongly affects the morphology, and high temperature is found to be responsible for growth of uniform nanospheres. Raman spectroscopy reveals high purity of prepared nanospheres. High saturation magnetization （78.3 emu/g）, low coercivity （45 Oe, 10e = 79.5775 ***-1）, low remanence （5.32 emu/g）, and high anisotropy constant 2.84 × 10^4 J/m3 （10 times larger than bulk） are observed at room temperatures. The nearly snperparamagnetic behavior is ~ spin due to comparable size of nanospheres with superparamagnetic critical thameter Dcr spm The high value of Keff may be due to coupling between the pinned moment in the amorphous shell and the magnetic moment in the core of the nanospheres. The nanospheres show prominent optical absorption in the visible region, and the indirect band gap is estimated to be 0.98 eV from the transmission spectrum. The prepared Mn ferrite has potential applications in biomedicine and photocatalysis.

关键词： Mn ferrite magnetic materials hydrothermal method superparamagnetic Raman spectroscopy

发展中国家新公共管理的实施——以巴基斯坦为例

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发展中国家新公共管理的实施——以巴基斯坦为例

作者： qurat ul ain Rashid 中国科学技术大学

学位级别：硕士

本文是对巴基斯坦公共部门改革的研究,主要探讨了新公共管理(NPM)在巴基斯坦公共部门应用和实施过程中内外部影响因素及其指导原则。巴基斯坦政府一直受到国际货币基金组织(IMF)、世界银行(World Bank)和亚洲开发银行(Asian Development... 详细信息

本文是对巴基斯坦公共部门改革的研究,主要探讨了新公共管理(NPM)在巴基斯坦公共部门应用和实施过程中内外部影响因素及其指导原则。巴基斯坦政府一直受到国际货币基金组织(IMF)、世界银行(World Bank)和亚洲开发银行(Asian Development Bank)等全球贷款机构的持续压力,要将其提供民用服务的非国有企业私有化,让市场这只“看不见的手”来引导其发展。另一方面,长期以来,巴基斯坦有大量的民用部门和人员依赖公共规定的服务和货物。或者可以说,对于生活在贫困线或贫困线以下的人来说,没有其他选择。不幸的是,巴基斯坦大部分人口都处于这种情况下。因此,向开放市场经济的转变和公共机构的撤出是一项艰巨的任务。由于社会和政治因素,早先做出采用“新公共管理”思想影响下的尝试,却没有成功。相比之下,最近的改革方案是金融危机后国际货币基金组织强制施加的影响的结果。本研究的目的是评估特定的新公共管理实践对政府部门组织的影响,并对公共部门的决策者在制定应对外部贷款机构压力时提供策略建议。因此,这个问题需要在巴基斯坦进行深入的调查。在学术上,这是一种试图弥补新公共管理在巴基斯坦应用空白的尝试。本研究的调研对象都是从巴基斯坦的公共部门组织中挑选出来的,通过结构化问卷对他们进行调研,然后利用AMOS 23.0和SPSS 22.0中的层次线性回归模型对预测模型和结构环节进行了评价。本文从公共部门组织的角度,实证地考察了直接影响新公共管理结构关键因素(如:管理风格、分权化、问责)和作为调节者的环境因素(诸如:社会、政治和官僚)之间的关系,这些环境因素与新公共管理结构及组织绩效有着直接关系的。主要总结如下:首先,本研究有助于了解公共部门采用和实施新公共管理的做法。此外,考虑到不同的管理体制、文化以及相关的传统,还试图就新公共管理的适用性以及私营部门和新公共管理的采用和实施对巴基斯坦公共部门当前管理实践的影响,提出新的发现;其次,研究结果也证实,在公共部门采用私营部门管理方式可能比传统方式更有效。同时,研究强调了公共部门外包的重要性,即它如何使人力资源较少的公共部门受益,并使项目能够更有效、高效和经济地完成。此外,本研究的结果也建议决策者避免或减少组织中的腐败现象,而不是将行政职位外包或外包出去;最后,指出对新公共管理实践的执行产生负面影响的是公共管理的过度政治化与腐败以及体制能力不足。所有被调研者都承认,由于体制能力不足,巴基斯坦公共部门在执行新公共管理做法方面遇到了困难。此外,本研究强调,公共部门的过度政治化被认为是公共部门采用和实施新公共管理改革的一种消极做法。

关键词：管理风格分权问责新公共管理环境特征组织绩效感知

Dietary intake in patients with chronic pancreatitis:A systematic review and meta-analysis

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World Journal of Gastroenterology 2021年第34期27卷 5775-5792页

作者： qurat Ul ain Yasir Bashir Linda Kelleher David M Bourne Suzanne M Egan Jean McMahon Laura Keaskin Oonagh M Griffin Kevin C Conlon Sinead N Duggan Professorial Surgical Unit Department of SurgeryTrinity College DublinDublin 24 D24 NR0AIreland Department of Nutrition and Dietetics Tallaght University HospitalDublin 24 D24 NR0AIreland Department of Newcastle Nutrition Freeman HospitalNewcastle Upon Tyne NE77DNUnited Kingdom Library and Information Services Tallaght Tallaght University HospitalDublin 24 D24 NR0AIreland Department of Nutrition and Dietetics St.Vincent’s University HospitalDublin 4 D04 T6F4Ireland

BACKGROUND A progressive reduction in the secretion of pancreatic enzymes in patients with chronic pancreatitis(CP)results in malabsorption and ultimate ***,the pathogenesis of malnutrition is multifactorial and other factors such as chronic inflammation,alcohol excess and poor dietary intake all *** may restrict their dietary intake due to poor appetite or to avoid gastrointestinal symptoms and abdominal *** up to half of patients with chronic pancreatitis are reportedly malnourished,the dietary intake of patients with CP is relatively understudied and has not been systematically reviewed to *** To perform a systematic review and meta-analysis of the dietary intakes of patients with CP compared to healthy controls,and to compare the dietary intake of patients with alcohol-related CP and non-alcohol-related *** A systematic literature search was performed using EMBASE,MEDLINE,and Cochrane review on studies published between 1946 and August 30th,*** subjects with a diagnosis of CP who had undergone dietary assessment were included in the systematic review(qualitative analysis).Studies on patients with other pancreatic diseases or who had undergone pancreatic surgery were not *** comparing the dietary intake of patients with CP to that of healthy controls were included in the meta-analysis(quantitative analysis).Metaanalysis was performed using Review Manager *** Ottawa Scale(NOS)was used to assess quality of *** Of 6715 studies retrieved in the search,23 were eligible for qualitative analysis while 12 were eligible for quantitative *** the meta-analysis,the total energy(calorie)intake of patients with CP was similar to that of healthy controls[mean difference(MD):171.3;95%confidence interval(CI):-226.01,568.5;P=0.4],however patients with CP consumed significantly fewer non-alcohol calories than controls[MD:-694.1;95%CI:-1256.1,(-132.1);P=0.02].CP patients consumed m

关键词： Systematic review Meta-analysis Chronic pancreatitis Dietary intake Undernutrition Alcohol-related chronic pancreatitis

An Improved Framework for Requirement Change Management in Global Software Development

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Journal of Software Engineering and Applications 2014年第9期7卷 779-790页

作者： Nasir Mehmood Minhas qurat-ul-ain Zafar-ul-Islam Atika Zulfiqar University Institute of Information Technology PMAS Arid Agriculture University Rawalpindi Pakistan

In this research, an improved framework for requirement change management in global software development (RCM_GSD) has been presented. The objective is to manage the change in requirement specifically in global software development in an appropriate manner. The proposed frame-work RCM_GSD follows the required processes of RCM and reduces the concerns of GSD. Systematic Literature Review (SLR) was conducted for exploration of relevant research. During literature study, it is analyzed that the existing techniques of change management were not suitable for global software development (GSD). The change in requirements becomes more complicated in distributed environment due to the lack of communication and collaboration among globally dispersed stakeholders. The proposed model is compared with other models proposed in recent literature and analysis is made between them;feedback was obtained from the domain experts as well. The feedback and comparison results show that the proposed model provides an appropriate solution for requirement change management in GSD.

关键词： Requirement Change Management (RCM) Global Software Development (GSD) Requirement Engineering

Protein-protein interactions: Methods, databases, and applications in virus-host study

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World Journal of Virology 2021年第6期10卷 288-300页

作者： qurat ul ain Farooq Zeeshan Shaukat Sara Aiman Chun-Hua Li Faculty of Environmental and Life Sciences Beijing University of TechnologyBeijing 100124China Faculty of Information Technology Beijing University of TechnologyBeijing 100124China

Almost all the cellular processes in a living system are controlled by proteins:They regulate gene expression,catalyze chemical reactions,transport small molecules across membranes,and transmit signal across ***,a viral infection is often initiated through virus-host protein ***-protein interactions(PPIs)are the physical contacts between two or more proteins and they represent complex biological ***,PPIs have been used to construct PPI networks to study complex pathways for revealing the functions of unknown *** have used PPIs to find the molecular basis of certain diseases and also some potential drug *** this review,we will discuss how PPI networks are essential to understand the molecular basis of virus-host relationships and several databases which are dedicated to virus-host interaction ***,we present a short but comprehensive review on PPIs,including the experimental and computational methods of finding PPIs,the databases dedicated to virus-host PPIs,and the associated various applications in protein interaction networks of some lethal viruses with their hosts.

关键词： Protein-protein interactions Experimental and computational methods Protein-protein interaction networks Protein-protein interaction databases Disease pathways Protein-protein interaction applications