Nahid SHahabadi

   بيماري آلزايمر يك بيماري تحليل‌برنده عصبي است و اصلي‌ترين علت زوال عقل (دمانس) در سراسر جهان به شمار مي‌رود. تا به امروز درمان‌هاي موجود براي اين بيماري محدود هستند. يكي از دلايل اين محدوديت، دشواري در درك كامل علل بروز بيماري و همچنين وجود سد خوني–مغزي است، كه يك مرز نيمه‌تراوا بوده و از ورود مولكول‌هاي محلول به سيستم عصبي مركزي جلوگيري مي‌كند. بنابراين، نياز به بررسي رويكردهاي جديد براي هدف‌گيري دارو به سمت مغز وجود دارد. با وجود محدوديت‌ها و موانع يادشده، تحقيقات در زمينه? انتقال دارو از مسير بيني به مغز به توسعه? پلتفرم‌هاي اميدبخشي منجر شده است كه از پتانسيل بالايي براي بهبود قابل توجه رسانش دارو به مغز برخوردارند. اين موفقيت از طريق هدف‌گيري مسيرهاي خاص بيني، بر اساس ويژگي‌هاي مولكول دارو و سيستم دارورساني، حاصل شده و رسانش مؤثر دارو به بخش‌هاي مختلف مغز را امكان‌پذير كرده است. بررسي اين حوزه? مطالعاتي مي‌تواند به توسعه? سامانه‌هاي جديدتر و كارآمدتري بينجامد كه درمان بيماري‌هاي CNS را به‌طور چشمگيري بهبود مي‌دهند. در حال حاضر، مهاركننده‌هاي آنزيم استيل‌كولين‌استراز تأييدشده توسط سازمان غذا و داروي آمريكا براي درمان بيماري آلزايمر شامل donepezil (Dnp)، Rivastigmine (Rv) و galantamine (GLn) هستند. شواهد حاصل از مطالعات حيواني نشان مي‌دهد كه Rv در نواحي قشر مغز و هيپوكامپ، كه بيشترين تأثير را از بيماري آلزايمر مي‌پذيرند، مهاركننده? قوي‌تري نسبت به ساير AChEIs است. در سال‌هاي اخير، نانوذرات كه قادر به انتقال مولكول‌ها از سد خوني–مغزي هستند مورد توجه فراوان قرار گرفته‌اند و رويكردي اميدبخش براي رسانش هدفمند دارو به مغز محسوب مي‌شوند. در اين مطالعه، هدف بر آن است كه  نانوذرات كيتوسان اصلاح‌شده با آرژنين و سيستئين  را براي  تجويز داخل‌بيني ريواستيگمين  در درمان علامتي بيماري آلزايمر سنتز و شناسايي كنيم. نانوذرات مزاياي خاصي براي دارورساني بيني دارند؛ به دليل اندازه كوچك، نسبت سطح به حجم بالا و توانايي عبور مؤثر از لايه مخاط، اگر به‌خوبي طراحي شوند، مي‌توانند از سد مخاطي عبور كنند، از پاك شدن مخاطي جلوگيري كنند و زمان ماندگاري دارو در محل جذب را افزايش دهند، كه شانس انتقال به مغز را بالا مي‌برد. در اين زمينه،  كيتوسان  به‌عنوان پليمر پايه جذاب انتخاب شده است به دليل ويژگي‌هايي مانند زيست‌سازگاري عالي، زيست ‌تجزيه ‌پذيري، خواص مخاط ‌چسبي، سميت پايين و توانايي در باز كردن موقت اتصالات محكم بين سلول‌هاي اپيتليال. براي تقويت بيشتر چسبندگي مخاطي و نفوذپذيري، كيتوسان را به‌صورت شيميايي با  آرژنين و سيستئين  اصلاح كرديم؛ آرژنين گروه‌هاي كاتيوني اضافي فراهم مي‌كند كه تعامل الكترواستاتيكي با مخاط منفي بيني را تقويت مي‌كند، در حالي كه سيستئين گروه‌هاي تيول معرفي مي‌كند كه قادر به تشكيل پيوند دي‌سولفيدي با گليكوپروتئين‌هاي مخاط هستند و در نتيجه زمان ماندگاري و نفوذ از اپي‌تليوم بيني را بهبود مي‌بخشند. براي تأييد اتصال موفق آمينواسيدها به اسكلت كيتوسان، آزمون‌ها و تكنيك‌هاي مشخصه ‌يابي مختلف به ‌كار گرفته شدند، سپس بهينه‌سازي پارامترهاي فرمولاسيون و بررسي الگوي رهايش دارو از نانوذرات اصلاح‌شده انجام گرديد. انتظار مي‌رود اين سامانه نانوذره‌اي كيتوسان اصلاح‌شده با آرژنين و سيستئين به‌عنوان يك حامل كارآمد و زيست‌سازگار براي تجويز داخل ‌بيني ريواستيگمين عمل كند و زيست‌دسترس‌پذيري و اثربخشي درماني آن را در درمان علامتي بيماري آلزايمر بهبود دهد، و همچنين باعث  كاهش عوارض جانبي ريواستيگمين  شود، با امكان استفاده از  دوزهاي درماني پايين‌تر، هدف‌گيري بهتر به مغز و كاهش توزيع سيستميك.

   A ternary nickel(II) complex, [Ni(GFS)(Phen)(H2O)]Cl, was synthesized using guaifenesin (GFS) as a tridentate ligand and 1,10-phenanthroline (Phen) as a co-ligand. The product was obtained in good yield and characterized by elemental analysis, UV–vis, FT-IR, and molar conductivity, which confirmed its formulation and coordination pattern. The binding properties of the complex toward calf-thymus DNA (ct-DNA) were explored through multi-spectroscopic techniques including UV–vis absorption, competitive fluorescence displacement, circular dichroism (CD), and viscosity measurements, supported by molecular docking. The results indicated a spontaneous interaction with binding constants on the order of 103 M-1, involving both intercalative and minor-groove binding modes (partial intercalation). Docking simulations revealed stabilizing hydrogen bonds and electrostatic contacts with B-DNA, accompanied by spectral and viscosity changes consistent with perturbation of the DNA helix. Cytotoxic effects were assessed in vitro against AGS gastric and PC-3 prostate cancer cell lines using the MTT assay. The Ni(II) complex reduced cell viability in a dose and time-dependent manner, with the highest inhibition observed at 640 µg mL-1 after 72 h. Antioxidant potential was confirmed by DPPH radical-scavenging assays, where the complex displayed stronger activity than guaifenesin alone. The interaction of the complex with human serum albumin (HSA) was also examined via UV–vis, fluorescence quenching, site-marker displacement, CD spectroscopy, and docking studies. The data showed effective binding accompanied by minor conformational changes of HSA. Overall, the synthesized [Ni(GFS)(Phen)(H2O)]Cl complex demonstrated significant DNA-binding affinity, antioxidant activity, and anticancer potential, alongside measurable protein-binding interactions, highlighting its promise for further biomedical investigation.

      Treatment due to the limitations and side effects of organic drugs, the synthesis of metal complexes, that is, drugs based on metal has been given much attention and many successes have been achieved in this field. In this study, an Fe(III) complex of guaifenesin ligand (GFS) and 1, 10-phenanthroline ligand was synthesized and identified. The interaction between the metal complex of GFS with ct-DNA at pH 7.4 was investigated. According to the UV-vis spectra and comparison of the binding constants it was concluded that the complex can be interacted stronger in cancer cells media and low toxicity was observed in healthy cells. The results of circular dichroism (CD) showed groove binding mode. The interaction of the metal complex and the ligand with HAS was investigated by spectrofluorimety at three different temperatures. Thermodynamic parameters were calculated using the Van?t Hoff equation, and   ?H° and ?S° are positive which indicates that the interaction of Fe(III) complex with HSA is the hydrophobic. According to the results of CD the interaction between the metal complex of Fe(III) of GFS and HSA occurs and the percentage of alpha helix increases. It should be noted that during the interaction of HSA with Fe(III) metal complex of GFS, the secondary structure of HSA is stabilized.

  This work reports the synthesis, characterization, andbiological evaluation of two zinc(II) complexes derived from the Schiff base ligand 2-[N-(2-hydroxyethylammonio-ethyl)imino methyl]phenol (HAIP). The ligand provides O and N donor sites, enabling the formation of stable coordination frameworks with zinc(II). Two halide complexes, [Zn(HAIP)Br?] and [Zn(HAIP)Cl?], were synthesized and studied for their antioxidant, cytotoxic, and antibacterial activities. The DPPH assay revealed concentration-dependent radical scavenging, with [Zn(HAIP)Cl?] exhibiting slightly higher activity (84.26 ± 1.69% at 400 µg/mL) than [Zn(HAIP)Br?] (80.06 ± 2.21% at 400 µg/mL). Both complexes showed significant dose- and time-dependent cytotoxicity against gastric (AGS) and prostate (PC-3) cancer cell lines, with [Zn(HAIP)Cl?] reducing viability to 18.78 ± 1.63% (AGS) and 20.33 ± 0.47% (PC-3) at 400 µg/mL after 72 h. Antibacterial studies indicated that [Zn(HAIP)Cl?] inhibited Escherichia coli (14.83 ± 0.23 mm) and Staphylococcus aureus

  Due to the limitations and side effects of organic drugs, the synthesis of metal complexes, that is, drugs based on metal and organic ligands, has received much attention and many successes have been achieved in this field. In this study, the platinum (II) complex (4-carboxy-,2-:2-,6-terpyridine) was synthesized and characterized. The interaction between the metal complex (4-carboxy,2-:2-,6-terpyridine) with DNA-ct at pH 7.4 and pH 6.2 was investigated. According to the UV-vis spectrum and the comparison of the binding constants, it was found that this complex can interact more strongly in cancer cell environments and has little toxicity in healthy cells. Considering the results of the circular dichroism (CD), the groove binding mode was proposed. Human serum albumin (HSA) is one of the most important plasma proteins that plays a fundamental role in the tra  ort of drugs to target sites. The interaction of the metal ligand complex with HSA was investigated by fluorescence spectroscopy in four Different temperatures were investigated. The results showed that the quenching constant increases with increasing temperature, but the value of ??? is more than

Abstract Metals haveunique properties that include oxidation and reduction activity, variablecoordination states, and reactivity toward organic substrates. Metals aretunable due to their reactivity under normal conditions. Coordination complexesas drugs or prodrugs become very attractive probes as potential anticanceragents. Azithromycin complex has been made with various metals, but here weused copper (II) as a biocompatible metal and its complex was made withazithromycin and identified by FT-IR, UV and elemental analysis. Theinteraction of the desired complex with DNA and HSA was done with the help ofspectroscopic methods, circular dichroism (CD) and molecular docking. By calculating the binding constants and we came to the conclusion that the mechanism of fluorescence quenching in the interaction of DNA with Cu(II)complex of azithromycin is done through static and the binding mode will bethrough the groove, and in the case of HSA, the fluorescence quenching isthrough static and binding site is done through site I located in subdomainIIA. Also, the evaluation of thermodynamic parameters    and  in connection with DNA and HSA showed that thebinding of the complex with DNA and HSA is exothermic and takes placespontaneously.Keywords: Azithromycin; Copper(II); DNA interaction; HSA interaction; Spectroscopic methods; moleculardocking; Fluorescence quenching.   

   In this study, a copper(II) complex with lidocaine ([Cu(LC)2(H2O)2](NO3)2) was synthesized and characterized using UV-Vis spectroscopy, elemental analysis, and FT-IR. The complex's potential as an improved drug was explored through its effects on MCF-7 breast cancer cells, where it demonstrated significant cytotoxicity, particularly after 72 hours, with an IC50 value of 145.15 ?g/ml. The interaction between the copper(II) complex and calf thymus DNA (ct-DNA) was investigated using multi-spectroscopic methods and molecular docking in a physiological buffer. The complex binds to ct-DNA via groove binding, with the formation being driven by hydrogen bonds and van der Waals forces, as confirmed by both experimental and docking studies. Additionally, the binding of the complex to human serum albumin (HSA) was examined using absorption, fluorescence emission, and molecular docking techniques. The results indicated strong binding through a static quenching mechanism, with hydrogen bonds and van der Waals interactions playing a key role. The binding site was identified as Sudlow's site 2 within domain III of HSA. These findings highlight the potential of the Cu(II)-lidocaine complex in drug development, particularly for cancer therapy, and provide insights into its interaction with biomolecules such as DNA and HSA. Keyword: Copper(II) complex; Lidocaine; Cytotoxicity; Calf thymus DNA (ct-DNA); Human serum albumin (HSA); Spectroscopic analysis

A new Cu(II) complex; [Cu2(PHT)2(ETA)2].3H2O in which phenytoin was synthesized and characterized by FT-IR and mass techniques. The interactions of the [Cu2(PHT)2(ETA)2].3H2O complex with calf- thymus DNA (ct-DNA) and human serum albumin (HSA) were investigated using different spectroscopic methods. The fluorescence and UV absorption spectroscopy indicated that the complex interacted with ct-DNA via partial (intercalate and groove) binding mode. The binding constant was 3.88×104 mol-1. The fluorimetric studies showed that the reaction between the complex and ct-DNA is hydrogen bonds (?H < 0, ?S < 0). In addition, the interaction of [Cu2(PHT)2(ETA)2].3H2O complex with HSA was studied. The experimental results of fluorescence showed that the quenching of the emission of HSA by the complex is a result of the static quenching mechanism. The thermodynamic parameters indicated that hydrophobic forces played major roles in the binding process of [Cu2(PHT)2(ETA)2].3H2O complex to HSA. The absorption spectra of HSA showed that the increasing of Cu(II) complex led to the formation of the new complex between HSA and Cu(II) complex and change in protein conformation. A new Cu(II) complex; [Cu2(PHT)2(ETA)2].3H2O in which phenytoin was synthesized and characterized by FT-IR and mass techniques. The interactions of the [Cu2(PHT)2(ETA)2].3H2O complex with calf- thymus DNA (ct-DNA) and human serum albumin (HSA) were investigated using different spectroscopic methods. The fluorescence and UV absorption spectroscopy indicated that the complex interacted with ct-DNA via partial (intercalate and groove) binding mode. The binding constant was 3.88×104 mol-1. The fluorimetric studies showed that the reaction between the complex and ct-DNA is hydrogen bonds (?H < 0, ?S < 0). In addition, the interaction of [Cu2(PHT)2(ETA)2].3H2O complex with HSA was studied. The experimental results of fluorescence showed that the quenching of the emission of HSA by the complex is a result of the static quenching mechanism. The thermodynamic parameters indicated that hydrophobic forces played major roles in the binding process of [Cu2(PHT)2(ETA)2].3H2O complex to HSA. The absorption spectra of HSA showed that the increasing of Cu(II) complex led to the formation of the new complex between HSA and Cu(II) complex and change in protein conformation.    A new Cu(II) complex; [Cu2(PHT)2(ETA)2].3H2O in which phenytoin was synthesized and characterized by FT-IR and mass techniques. The interactions of the [Cu2(PHT)2(ETA)2].3H2O complex with calf- thymus DNA (ct-DNA) and human serum albumin (HSA) were investigated using different spectroscopic methods. The fluorescence and UV absorption spectroscopy indicated that the complex interacted with ct-DNA via partial (intercalate and groove) binding mode. The binding constant was 3.88×104 mol-1. The fluorimetric studies showed that the reaction between the complex and ct-DNA is hydrogen bonds (?H < 0, ?S < 0). In addition, the interaction of [Cu2(PHT)2(ETA)2].3H2O complex with HSA was studied. The experimental results of fluorescence showed that the quenching of the emission of HSA by the complex is a result of the static quenching mechanism. The thermodynamic parameters indicated that hydrophobic forces played major roles in the binding process of [Cu2(PHT)2(ETA)2].3H

In this study, a complex of nickel(II) containingazithromycin drug was synthesized and identified by FT-IR andelemental analysis. The interaction of the complex with biomacromolecules wasinvestigated by UV-vis, fluorescenceand CD spectroscopic methods. The results of UV-visspectroscopy of the interaction of this complex with DNA showed decrease in absorption intensity at 260 nm withoutsignificant red shift or blue shift and confirmed the interaction of thiscomplex with DNA. Also, according to the calculated binding constant, thepossibility of main groove connection is high. In addition to confirming theinteraction, the circular dichroism study was done and showed groove binding.The interactions between Ni(II) complex and itsligand with HSA also was studied. The results of UV-vis spectroscopy clearlyshowed that the intensity of band at 280 nm decrease by addition the complex toHAS.   Fluorescence spectroscopic data ofHSA with nickel(II) complex containing azithromycin and calculations showed theprobability of new complex formation and static quenching mechanism wassuggested. The thermodynamic data obtained showed that there is morepossibility of hydrophobic forces between HSA and this complex.   The Competitive site marker fluorescenceexperiments with ibuprofen and warfarin showed that the nickel(II) complex ismore likely bind to site (II) instead of ibuprofen.   The change of HSA structure due tointeraction with nickel(II) complex was investigated by CD spectroscopy, and itwas found that the ?- helixpercentage of this structure increases due to this interaction.   All experimental results were evaluated andconfirmed by molecular docking technique.  

  Due to the limitations and side effects of organic drugs, the synthesis of metal complexes, that is, drugs based on metal and organic ligands, has been given much attention and many successes have been achieved in this field.   In this study, an iron(III) metal complex of azithromycin in molar ratio (2:1) was synthesized and identified by using FT-IR and elemental analysis. The interaction between the metal complex of azithromycin with CT-DNA in (pH :7.4) and at (pH :6.2) was investigated. A according to the UV-vis spectra and comparison of the binding constants it was concluded that the complex can be interacted stronger in cancer cells media and low toxicity was observed in healthy cells. According to the results of Circular Dichroism (CD) groove binding mode was suggested. Human serum albumin (HSA) is one of the most important plasma proteins that plays an essential role in tra  orting drugs to their target sites. The interaction of the metal complex and the drug with HSA was investigated by spectrofluorimety at four different temperatures. The results showed that the quenching constant increased with increasing temperature, but the value of Kq is greater than the maximum calculated value (2× Lmol-1s-1), which according to the UV spectra a static shutdown quenching mechanism was suggested. Thermodynamic parameters were calculated and according to the parameters obtained from the Van Hoff equation, ?H° and ?S° are positive which indicates that, that the interaction of iron(III) complex with HSA is the hydrophobic. According to the results of CD the interaction between the metal complex of iron(III) of azithromycin and HSA occurs and the percentage of alpha helix increases. It should be noted that during the interaction of HSA with iron(III) metal complex of azithromycin, the secondary structure of HSA is stabilized.  

     This study is focused on generating single-phase maghemite (?-Fe2O3) using an environmentally conscious approach involving Echinophora platyloba DC. (E. platyloba) extract, followed by a silica coating. Subsequently, the ?-Fe2O3@SiO2 magnetic nanoparticles (?-Fe2O3@SiO2 M  ) are functionalized with the antiviral medication "penciclovir (PNV)." The primary aim is to create a versatile therapeutic agent capable of showcasing potential in both anticancer and antiviral applications. Confirmation of the creation of ?-Fe2O3@SiO2 M   incorporating the penciclovir drug (referred to as ?-Fe2O3@SiO2-PNV M  ) was substantiated through a comprehensive array of analytical techniques, encompassing FT-IR, VSM, XRD, zeta potential measurements, TEM, SEM-EDX, DLS, and ultraviolet-visible analysis. The assessment of cytotoxicity revealed that ?-Fe2O3@SiO2-PNV M   exhibited lower toxicity towards normal cells (Fibroblast) in comparison to cancerous cells (MCF-7). The incorporation of PNV onto ?-Fe2O3@SiO2 M   resulted in a significant augmentation of PNV's anticancer and biological effects. To assess the therapeutic potential of ?-Fe2O3@SiO2-PNV M  , their interactions with nucleic acids (DNA and RNA) were investigated through absorption and fluorescence studies. Analysis of fluorescence spectra and UV-visible absorption data demonstrated a robust interaction between ?-Fe2O3@SiO2-PNV M   and nucleic acids. These findings underscore the considerable binding affinity of ?-Fe2O3@SiO2-PNV M   towards these biological targets, indicating their promising candidacy as a targeted and specific chemotherapeutic agent.

  Anorganoplatinum(IV) complex containing diorganotinchloride; [PtMe2(SnMe2Cl)Cl(4,4?-Me2bpy)]was synthesized and varieties of techniques including UV-Vis spectroscopy,fluorescence, CD, andmolecular docking were used to examine its interaction with calf thymus DNA invitro. the binding constant for DNA interaction was2.8×104 M-1, which, as compared to known bindingconstants, supports a groove-complex binding mechanism. In fluorometricstudies, evaluating the value of Kq indicate static quenchingmechanism and the values of ?H and ?G indicate that the reaction is endothermicand spontaneous. In addition, since ?H > 0 and ?S > 0, there is ahydrophobic reaction relationship between these two compounds. CD spectra ofDNA revealed no significant change in the intensity of both its negative andpositive bands. As the largestprotein in the blood vessel system, human serum albumin (HSA) regulates manychemical compounds and molecules' tra  ort, the interaction between humanserum albumin with different concentration of the complex [PtMe2(SnMe2Cl)Cl(4,4?-Me2bpy)]was investigated by using UV-Vis spectroscopy, fluorescence, CD, and moleculardocking techniques. A reduction in intrinsicfluorescence of the protein can be observed in the presence of this complex andthe data showed that the interaction mechanism is static. Thermodynamic data, enthalpy(-125.1 kJmol-1) and entropy (-334.7 Jmol-1K-1)indicate hydrogen bond and van der waals force are the main forces. The UV-Visspectrum shows that HSA conformation changes when the complex Pt(IV) is bound toit, and the CD spectrum shows changes in its alpha helical structure after its interaction.In addition, in order to detect the junction of the complex based on thejunction constant kb at room temperature, it was concluded that thecomplex is attached to site II based on the values obtained from the junctionconstant kb.

   In this study, new binuclear cobalt(II) complex with the composition of [Co(II)(pydc)(µ-pydc)Co(II)(H2O)5].2H2O, (PYDC=pyridine-2,6-dicarboxylate) have been synthesized by a new method. The complex was characterised by spectroscopic studies, X-ray diffraction techniques. A binuclear Co(II) complex which exhibits an extended hydrogen bonding network. The coordination environment around Co(II) is distorted octahedral with the cationic portion of 5a centrosymmetric complex with the center of inversion lying on Co(II). There are two crystallographically independent Co(II). This compound consists of asymmetric dimeric units with independent Co(1)/Co(2) centers. The cationic part is formed by a six-coordinate Co(2) with distorted octahedral geometry filled by five terminal waters and one -carboxylate O2 from the anionic portion of the compound. The anionic moiety comprises a distorted octahedral Co(1) with two deprotonated carboxylate moieties as tridentate chelates. The binding interactions of the complex with Calf thymus-deoxyribonucleic acid (ct-DNA) and human serum albumin (HSA) have been investigated using absorption and emission spectral techniques. HSA binding interaction studies showed that the binuclear Co(II) complex can quenh the intrinsic fluorescence of HSA through static quenching process. In that interaction mechanism, it was proved that the fluorescence quenching of HSA by Co(II) complex is a result of the formation of Co(II) complex–HSA association. The ct-DNA binding properties and competitive fluorescence experiment with Hoechst 33258 and methylene blue dye indicated that, this complex binds to ct-DNA through a partial intercalation and groove mode and the binding constant value was calculated using the absorption and emission spectral data. The binding constant value (~10 × 106 mol dm-3) indicate strong binding of metal complex with ct-DNA. The thermodynamic parameters ?G, ?H, and ?S for all interactions at different temperatures (278, 298 and 310 K) were calculated, and the negative value for ?H and ?S indicated that the hydrogen bonds and van der Waals interactions play major roles in Co(II) complex-HSA adduct, while the negative ?H and positive ?S values indicated that electrostatic interactions play main roles in the binding of Co(II) complex to DNA. According to the thermodynamic data, the formation of the Co(II) complex-DNA complex is enthalpy favored while it is entropy disfavored. From the docking calculation for Co(II) complex–HSA, the best docking energy result is picked up from the 16 minimum energy conformers from the 500 runs. The Co(II) complex is located within the binding pocket of site 1 (subdomains IIA). From the docking calculation for Co(II) complex–HSA adduct, The obtained results confirm the role of both intercalation and groove binding in the interaction and the experiments results accuracy.    Keywords

This study investigated the filtration of Direct RED-16 molecules as aqueous contaminants by MOFS coated on the gauze bandage as an adsorbent. The six samples were synthesized under different conditions, which showed good adsorption capacity. The adsorption kinetics follow more than the pseudo-second-order kinetic model, which indicates the adsorptive tendency to chemical absorption. The maximum adsorption capacity is related to Sample 5 (61.12 mg/g) with a velocity constant of 0.00656 g?mg.min. The greater adsorption capacity of sample-5 can be attributed to the larger surface area and larger pore size than other samples. Samples were identified by X-ray powder diffraction (PXRD), Thermogravimetric analysis (TGA), Fourier transform infrared (FT?IR), and visible-ultraviolet (UV?Vis) optical spectroscopy.   

سرطان بيماري است كه در آن سلول هاي بدن به طور غير عادي تقسيم مي شوند و بافت هاي سالم اطراف را نابود مي كنند. تا كنون علت دقيق سرطان مشخص نشده است ولي احتمال دارد عوامل ژنتيكي علل اصلي بروز سرطان باشد. اغلب رخدادهاي كه منجر به بروز فنوتيپ هاي سرطاني مي شوند. تحت كنترل ژنتيك قرار دارند .سنتز و شناسايي كمپلكس هاي فلزي با ليگاند هاي بزرگ حلقه يا حلقه باز هدف بسياري از تحقيقات در سال هاي اخير بوده است. براي درمان سرطان از روش هاي گوناگون استفاده مي شود كه يكي از اين روش هاي درمان با استفاده از داروها مي باشد. در سال هاي اخير بررسي خواص ضد سرطاني بسياري از داروهاي جديد سنتز شده از عناصر فلزي توجه بسياري از بيوشيميدان هاي معدني را به خود جلب كرده است. كشف خواص ضد سرطاني سيس پلاتين آغازگر گسترش بررسي اين دسته از داروها تلقي مي شود وجود معايبي از جمله پايداري و سميت بالاي اين دارو نياز به تغيير ليگاند و بررسي كمپلكس هاي فلزي زيست سازگار را ضروري كرده است. ساختار و خصوصيات پيوند و رفتار مغناطيسي مس(II) مورد توجه شيميدان هاي معدني قرار گرفته است. مس(II) بهترين سيستم براي بررسي تعامل مغناطيسي بين مراكز فلزي هستند و دليل ن ها ساختار الكترونيكي   d9است. شيمي تركيبات به ويژه آنهايي كه شامل اتم دهنده N هتروسيكليك هستند اخيرا مورد توجه قرار گرفته اند ،از جمله اتانول آمين و اسيد پيكولينيك كه كاربردهاي بيشماري دارند .اسيد پيكولينيك و دي اتانول آمين نقش هاي مهمي در فرآيندهاي بيولوژيكي دارند وبراي فعاليت هاي ضد سرطاني مورد استفاده قرار مي گيرند.اخيرا نشان داده شده درمان بااسيد پيكولينيك رشد سلول ها را مختل كرده و چرخه ي سلولي را متوقف مي كند. اسيد پيكولينيك همچنين تحريك مرگ سلولي برنامه ريزي شده در سلول هاي سرطاني و به طور موثر در پيشرفت HIV در شرايط آزمايشگاهي را مختل مي كند . كمپلكس هاي 10و11 توانايي اتصال بهDNA   دارند و مشاهده شده كه بين ليگاندهاي كمپلكس و جفت بازهاي DNA اتصال ?-? وجود دارد . مس حاوي ليگاند دي پيكولينات اسيد نسبتآ ساختار گونه هستند و از لحاظ مغناطيسي يك گروه مناسب براي سيستم هاي كربوكسيكلاتي به شمار مي آيند كه وزن مولكولي پاييني دارند. درميان تركيبات كربوكسيلات كه شامل اتم دهنده هتروسيكليك,2-پيكولينات(پيريدين-2كربوكسيكليك اسيد,Hpic-2 (كه شامل هر دو اتم N وO دهنده قوي هستند كه علاقه خاصي به اين گروه ها وجود دارد. ليگاند اتانول آمين ها پتانسيل بسيار خوبي براي توليد تنوع مولكولي دارند. كمپلكس مس (II)همراه با ليگاند اتانول آمين براي مشخص كردن ساختار هترو فلزي و به ويژه مغناطيس تك مولكولي غير هسته اي استفاده كرديم. اتانول آمين داراي ويژگي هاي نوري جالب هستند .[18] اتانول آمين ها طبقه اي از مولكول هاي آلي كه شامل گروه آمين والكل هستند.گروه آمين از درجه ي اول (مونو اتانول آمين) و از درجه ي دوم (دي اتانول آمين) و از درجه ي سوم (تري اتانول آمين) باشد نشانگر واكنش پذيري و هماهنگي آمين ها مي باشد. ماهيت دوتايي اتانول آمين ها آن ها را قادر مي سازد كه كاربردهاي تجاري زيادي مانند جلوگيري از خوردگي, پاك سازي گاز, علف كش ها و به عنوان ماده اي عليه سرطان از آن استفاده شده است.[اتانول آمين ها ليگاندهاي چند كاره هستند كه به آساني به شكل گيري تركيبات هماهنگ با بيشتر يون هاي فلزي كمك مي كند و نقشي به عنوان ليگاندهاي   و Oدهنده ايفا مي كند. ك اتاليز مس(II) با ساليسيليدن 2-اتانول آمين داراي تاثيرمثبت هنگام استفاده از آنها در واكنش هاي اكسيداسيون الفين ها وتخريب ليگينين بوده .

   The binding interactions between Cu(II) complex with calf thymus DNA (CT-DNA) were investigated using absorption, emission. Moreover, the interaction of Cu(II) complex with HSA were investigated using absorption, emission. For DNA interaction absorption spectra of Cu(II) complex showed hypochromisms. In fluorimeteric studies, the binding mode of Met and its Cu(II) complex with DNA were studied using Hoechst 33258 and MB as a fluorescence prob, respectively. As an evidence by quenching fluorescence of Hoechst-DNA solution in the presense of increasing amounts of complex, the drug is able to displace the Hoechst 33258 groove binder into DNA completely as to indicate groove binding. The Cu (II) complex can bind with DNA–MB complex and forms a new non fluorescence adduct. Finally all results indicated that Cu(II) complex interact with DNA via groove binding mode and binding affinity of the drug is stronger than that of its cooper complex.   HSA interaction with Cu(II) complex cause changes in UV spectra and indicate the formation of an adducts of HSA-Cu (II) complex cause changes in protein conformation. Fluorescence studies showed that the HSA fluorescence intensity was quenched by dynamic quenching and both dynamic and static mechanism for the Cu(II) complex.

The interaction of zinc complex (cis-2-((2-((2-hydroxyethyl)aminoethylamino)benzene-1-ol) dibromo zinc(II)) with calf-thymus DNA (ct-DNA) and Human Serum Albumin (HSA) has been studied by using various spectroscopic techniques and molecular docking. The results of fluorescence and UV-vis absorption showed that the complex interacted with ct-DNA via groove binding mode. The fluorimetric investigations indicated that the reaction between the mentioned complex and ct-DNA is exothermic. The changes in the Circular Dichroism spectroscopy (CD) of DNA in the presence of increasing amounts of the complex showed stabilization of the right-handed B form of ct-DNA. Furthermore, the docking results showed that hydrogen bond played an important role in the binding of zinc complex to DNA. In addition, the interaction of zinc complex with HSA was investigated. The results showed that the HSA fluorescence was quenched by zinc complex through static quenching. In addition, the presence of hydrogen bond and van der Waals force was confirmed due to thermodynamic parameters. The molecular docking was used to simulate and predict the binding site of zinc complex to albumin and to authenticate experimental results.

Crude oil is a valuable and essential material for human life; Both in terms of energy supply and production of raw materials required by industry. But like everything else, in addition to the many benefits, it has many disadvantages that can seriously endanger the life of living organisms, especially aquatic organisms. By the entry of crude oil into the water during exploration, extraction or displacement operatio   Due to the partial dissolution, it can remain as a layer on the surface of the water or become emulsion due to environmental forces such as tides or waves. In this research, we have tried to break the crude oil emulsion in water and remove the crude oil from the environment by adsorption by magnetic iron oxide nanoparticles coated with fatty acids and surfactants. FT-IR, TEM, SEM, TGA, VSM, EDS and XRD devices were used to identify nanoparticles and their physical, chemical and morphological properties, and a UV-Vis spectrophotometer was used to determine the amount of crude oil adsorption by nanoparticles. The highest adsorption was recorded for iron oxide nanoparticles coated with polyoxyethylene with 98.03%. Some of these nanoparticles were also used in the demulsification of water and Ligroin emulsions. Again, iron oxide nanoparticles coated with polyoxyethylene had the highest adsorption with 92.31%. Keywords: Magnetic nanoparticles, Iron oxide nanoparticles, Fe3O4, Demulsification, Water and crude oil emulsion, Fatty acid, Surfactant   

  Synthesis of tin chloride dimethyl bipyridine tin complex and its interaction with calf thymus DNA and human serum protein using instrumental and spectrometric methods and observation and recording of results to discover anticancer drug properties and the effect of this complex in stopping the growth of facial cancer cells Took

   Abstract This thesis contained one part which is about Synthesis and characterization of magnetic nanoparticles containing layered double hydroxides and drugs (Fe3O4@LDH@Drugs) and investigation of their interactions with biomacromolecules. The main purpose of this study was the synthesis of Nano carriers based on Fe3O4 magnetic nanoparticles and double layered hydroxides for loading drugs, such as L-Dopa and Lamivudine. Investigating the release of these drugs can simulate the release of the drug in the tissues and cells of the patient. Also, by studying the interaction of nanoparticles with macromolecules such as DNA and HSA, by using spectrophotometric methods and determining their linkage pattern with this kind of macro molecules, the mechanism of action of drugs in confronting patient cells is investigated. Using these Nano sheets, reduces their toxicity by reducing the dosage of the drug, thus reducing the side effects of medications. By using the magnetic properties of these Nano systems, it is attempted to make drug delivery more purposefully, thus increasing the effectiveness of the drug. In this system, the anticancer activity of these drugs will be investigated. The structural features of Fe3O4@CaAl-LDH@L-Dopa and Fe3O4@CaAl-LDH@Lamivudine were characterized using XRD, SEM, TEM, EDX, FT-IR, VSM, TGA, XPS and BET. All of the characterization techniques show the uniform high surface area core-shell structure with about 120 nm in average size. Also, the obtained results clearly indicate that this drug delivery system possess high potent for adsorption of L-Dopa and Lamivudine (52%) and high drug efficiency. The amount of drugs release in low pHs which simulates the environment of cancer cells is greater than higher pHs (53.8%) and (87%), for L-Dopa and Lamivudine respectively. The in vitro cytotoxic and anticancer activities of Fe3O4@CaAl@L-Dopa were investigated against Mel-Rm cells Melanoma (NCIt:  C3224) using a MTT colorimetric assay. The results show Fe3O4@CaAl@L-Dopa with a lower concentration of L-Dopa, illustrate a higher anticancer activity and lower side effects. Next, we evaluated the cytotoxicity of the Fe3O4@CaAl-LDH@Lamivudine, against Hep-G2 cells (human liver cancer cell).  ). Such low IC50 values of the nano-Lamuivudine indicate their high drug efficiencies in vitro against Hep-G2 cells, and also imply the expected low using amounts of drug and carrier. The interaction of Fe3O4@LDH@L-Dopa and Fe3O4@LDH@Lamivudine with CT-DNA was investigated by viscosity, circular dichroism (CD), Uv-visible and fluorescence spectroscopy. In the fluorimetric investigation, this nanocomposites can bind to DNA and creates a new non-fluorescence adducts. In addition, for both of the Nano systems, by increasing Nano composite to DNA-MB solution, the fluorescence has no changes, but the replacement processes occur by using Hoechst as the probe. The outcome of fluorescence titration demonstrated that the nanocomposite strongly quenches the intrinsic fluorescence of DNA through a static quenching procedure. The thermodynamic parameters (?H<0 and ?S<0), indicate that the interaction between DNA and nanocomposite is hydrogen bond and Vander-Waals force. The process of binding was spontaneous, in which Gi   free energy change (?G) was negative. Furthermore, viscosity measurements did not show any changes by increasing the amount of the mentioned nanocomposite. In Circular dichroism, both positive and negative bands illustrate little changes, which imply a non-intercalative mode of binding. The experimental results demonstrate that Fe3O4@LDH@L-Dopa and Fe3O4

  The interaction of SnMe2Cl2(bu2bpy)complex with calf thymus DNA (ct-DNA) has been explored following, using spectroscopic methods, viscosity measurements, Atomic force microscopy, Thermal denaturation and Molecular docking . It was found that Sn(IV) complex could bind with DNA via intercalation mode as evidenced by hyperchromism and bathochromic in UV–Vis spectrum; these spectral characteristics suggest that the Sn(IV) complex interacts with DNA most likely through a mode that involves a stacking interaction between the aromatic chromophore and the base pairs of DNA. In addition, the fluorescence emission spectra of intercalated methylene blue (MB) with increasing concentrations of SnMe2Cl2(bu2bpy) represented a significant increase of MB intensity as to release MB from MB-DNA system. Positive values of ?H and ?S imply that the complex is bound to ct-DNA mainly via the hydrophobic attraction. Large complexes contain the DNA chains with an average size of 859nm were observed by using AFM for Sn(IV) Complex–DNA. The Fourier transform infrared study showed a major interaction of Sn(IV) complex with G-C and A-T base pairs and a minor perturbation of the backbone PO2 group. Addition of the Sn(IV)complex results in a noticeable rise in the Tm of DNA. In addition, the results of viscosity measurements suggest that SnMe2Cl2(bu2bpy) complex may bind with the >Excellent agreement was obtained between the experimental and theoretical results with respect to the binding forces and binding constant.

  The interaction of [Pt(VEN)Cl3]K complex with calf thymus DNA (ct-DNA) has been explored following, using spectroscopic methods, viscosity measurements. It was found that Pt(II) complex could bind with DNA via intercalation mode as evidenced by hyperchromism in UV–Vis spectrum; this spectral characteristic suggests that the Pt(II) complex interacts with DNA most likely through a mode that involves a stacking interaction between the aromatic chromophore and the base pairs of DNA. In addition, the fluorescence emission spectra of intercalated methylene blue (MB) with increasing concentrations of [Pt(VEN)Cl3]K represented a significant increase of MB intensity as to release MB from MB-DNA system. Positive values of ?H and ?S imply that the complex is bound to ct-DNA mainly via the hydrophobic attraction. In addition, the results of viscosity measurements suggest that [Pt(VEN)Cl3]K complex may bind with the 150%;">3]K–HSA complex. The values of the calculated thermodynamic parameters (?H > 0 and ?S > 0) suggested that the hydrophobic interactions were involved in the binding process. The site marker competitive experiments revealed that the binding of Pt(II) complex to HSA primarily occurred in region of site I (subdomain IIA) of HSA.  

  In the present investigation, two highly water soluble iron oxide magnetic nanoparticles coated with a layer of silica and different drugs were synthesized and their interaction with calf thymus DNA (ct-DNA) and human serum albumin (HSA) were studied. The iron oxide MNPs   were synthesized via chemical co-precipitation and then coated by silica based on sol-gel method. Then, the obtained Fe3O4@SiO2 MNPs were functionalized with riboflavin and zidovudine drug. Based FT-IR data, the crystalline phase of iron oxide MNPs was identified to be magnetite(Fe3O4). FT-IR analysis indicated that the Fe3O4 MNPs were successfully coated with SiO2 and riboflavin and zidovudine drug (Fe3O4@SiO2 RF-AZT). On TEM images, the morphology of Fe3O4@SiO2-RF-AZT MNPs was found to be spherical, showing a uniform size distribution with an average diameter of 30 nm. Zeta’s size and potential was measured. Riboflavin and zidovudine coating on Fe3O4@SiO2 MNPs   was intended to achieve water-soluble Fe3O4@SiO2-RF-AZT with and anticancer activities. The cytotoxic and anticancer activities of riboflavin and zidovudine drug and the Fe3O4@SiO2-RF-AZT   against MCF-7 cancer cells and inhibition activity of these compounds on were also reported. We also measured the TGA for MNPs. The in vitro interaction of Fe3O4@SiO2-RF-AZT with calf thymus DNA was studied by UV-vis, fluorescence and CD techniques and viscometery. The results showed that the interaction of MNPs   with DNA is intercalative mode. And the interactions of Fe3O4@SiO2-RF-AZT MNPs   with HSA was studied. The fluorescence spectra of native HSA at different temperatures showed that has been formed between Fe3O4@SiO2-RF-AZT MNPs and HSA via hydrogen bonds and van der Waals interactions. Also, the results of CD and UV-vis spectra showed that the secondary structure of HSA was changed by Fe3O4@SiO2-RF-AZT MNPs  .

  platinum drugs remain some of the most important chemotherapeutic drugs. With improved and targeted delivery, the main limitationsof platinum-based therapies can be mitigated. An approach was conceived to utilizecarbon nanotubes as a protective shell for stable platinum (II). A platinum (II)complex was designed by reaction of potassiumtetrachloroplatinate with caffeine and L-histidine. The caffeine and L-histidine coordinated via N donor atoms of caffeine and L-histidine ([PtCl(Caff)(His)]complex). The [PtCl(Caff)(His)]complex and ([PtCl(Caff)(His)]-SWCNTprepared were characterized Fourier Transform-Infraredspectroscopy (FT-IR) and TransmissionElectron Microscopy (TEM). The [PtCl(Caff)(His)] complex and([PtCl(Caff)(His)]-SWCNT were tested for in vitro cytotoxicity against severalcancer cell lines: the breast carcinoma MCF-7 and Hela (cervical carcinoma cells). The IC50values of the [PtCl(Caff)(His)] complex testedin these cancer cells were also different after 72 h treatment. In comparisonwith free drug, the IC50 value of [PtCl(Caff)(His)]complex lower than the corresponding value for SWNT-[PtCl(Caff)(His)]complex this is indicated that the SWNT-[PtCl(Caff)(His)]complex have better anticancer effect and we synthesis a new candid for cancertreatment. This simple method,loading, and controlled release exploiting the ([PtCl(Caff)(His)]-SWCNT scaffoldcould form the basis of other delivery strategies for targeteddelivery of platinum drugs into cancer cells.

   In recent years, considerable attention has been paid in design and synthesis of a class of new crystalline porous materials known as metal–organic frameworks (MOFs). These porous materials have great potential for a wide range of applications like separation, ion exchange, conductivity, drug delivery, catalysis, gas storage and selective gas adsorption due to their large surface area, tailored pore volume and designable chemical environment. MOFs are typically constructed by connecting secondary building units (SBUs) consist of metal ions with organic connectors to produce various networks. They are completely regular, have high porosity, highly designable frameworks, and tunable functionalities. The samples were characterized with powder x-ray diffraction (PXRD), fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), nitrogen adsorption and desorption isotherms (BET) analysis, thermogravimetric analysis (TGA), transmission electron microscopy (TEM) and x-ray photoelectron spectroscopy (XPS). The MOF containing NH2 groups have high capacity for catalytic reaction. In this work, UiO-66-NH2 was used for post-synthesis by melamine and ethylamine to provide higher content of primary amine for Knoevenagel reaction. The modified MOFs were characterized with powder x-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), scanning electron microscopy (SEM), N2 adsorption-desorption isotherms (BET), thermogravimetric analysis (TGA), and x-ray photoelectron spectroscopy (XPS). The effective parameters in Knoevenagel reaction such as catalyst type and amount, and solvent type were investigated. The modified MOFs exhibited excellent catalyst activities in heterogeneous phase due to their large surface area and porosity, gigh number of active sites (-NH2) on the structures. The catalyst could be recyclable and reusable without losing its framework integrity and catalytic activity.

  In this study the nano-absorbent Ag-Y  zeolite was prepared by addition of  AgNO3  and  ion exchange method.  The prepared of nano-absorbent Ag-Y  zeolite   was calcined at 500 ?C , 120 and heating rate of 5 ?C/min. Characteristic  of  ynthesized nano-absorbent Ag-Y  zeolite were carried out by  (SEM),  (BET), (XRD)  and  (FT-IR).  Then, the prepared nano-absorbent Ag-Y  zeolite was used as an efficient absorbent for the removal of sulfur compounds especially Paratoluene thiol from crude oil.  Various variables effect on the absorption and performance of nano-absorbent Ag-Y  zeolite studies and  optimize  these variable  hy  in order to  find the maximum amount of sulfur compounds removal. The results from this optimizatio  including:  weight of  adsorbent dosage: 3 wt.% based on crude oil,  contact  time:  40  min, room temperature, weight percent of  Ag:  15 wt.% based on Y  zeolite weight.   At end of the optimization, the efficiency of removal of   Paratoluene thiol was   attained to 98.1% by using nano-adsorbent  Ag-Y.  Also the adsorption reactio  and  Langmuir and Freundlich isotherms wa  tudied.   Absorption data is very well fitted to Langmuir isotherm model, and reaction kinetics follows the pseudo second-order kinetics

  In this thesis nanocrystalline nanoparticles synthesized based on NaYbF4. Characterization of synthetic samples using Fourier transform infrared transformation techniques (FT-IR), X-ray diffraction (XRD), photoluminescence spectroscopy (PL), scanning electron microscopy (SEM), Braunauer, Emmet, Teller (BET) Analysis Adsorption, inductively coupled plasma spectroscopy (ICP-AES), UV-Visible spectroscopy, Laser Particle Size Analyzer Particles have been investigated. The applications of these samples were studied in the fields of drug delivery and degradation of pollutants and dyes

  A new complex, [Pt(valcyte)(DMSO)Cl]Cl, in which valcyte (trade name) served as valganciclovir hydrochloride drug ([2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate), was synthesized and characterized by different physicochemical methods. Binding interaction of this complex with calf thymus DNA (ct-DNA) has been investigated by multi-spectroscopic techniques. The complex displays significant binding properties with ct-DNA. The results of fluorescence and UV–vis absorption spectroscopy indicated that this complex interacted with ct-DNA in a groove-binding mode, and the binding constant was 3.8×104 M?1

ABSTRACTBiosensors research is a rapid growing field in which tens of hundreds of papers have been published over the years; even more numerous biosensors have been developed for detection of biomolecules among them the phenolic compounds. In such, catechol which reacts with appropriate enzymatic bioreceptor like 3?-Hydroxysteroid dehydrogenase (3?-HSD). the aim in this project is to build up a novel electrochemical biosensing electrode for the determination of cholic acid by covalent immobilization of 3?-HSD on a glassy carbon electrode (GCE) modified by the mixture of carboxylated multiwall carbon nanotube (MWCNT-COOH), titanium dioxide (TiO2) in chitosan splution.   In order to achieve this aim, we examined the immobilized enzyme in electrochemical biosensor. The fabrication process of the sensing surface was characterized by Field Emission Scanning Electron Microscopy (FESEM), Fourier transform infrared spectroscopy (FTIR), cyclic voltammetry (CV) and differential pulse voltammetry (DPV). The electrochemical results showed that 3?-HSD was immobilized onto modified glassy carbon electrode by the covalent interaction between 3?-HSD and terminal functional groups of the MWCNT-COOH. The modified electrode showed a direct electron transfer reaction between 3?-HSD and the electrode. Under optimum conditions, the biosensor showed a linear response in the range of 7 - 43 nM. The limit of detection was calculated to be 5.9 nM with a correlation coefficient of 0.96 and the sensitivity was 900 A L mol?1 for biosensor.

  AbstractIn this research we have studied in vitro binding interaction of advantame (AVM) (as an artificial sweetener) and glibenclamide (as an antidiabetic drug) with DNA at physiological pH. DNA binding studies of AVM are helpful to understand AVM–DNA interaction mechanism and to provide guidance for the application and design of new and safer artificial sweeteners. the interactionwas studied by using different methods such as: spectrophotometric, Spectrofluorometric, competition experiments, circular dichroism (CD) techniques.UV–vis study results confirmed that AVM interacted with DNA to form a ground-state complex and values of the Stern–Volmer quenching constant values indicate the presence of a static component in the quenching mechanism. As indicated by the thermodynamic parameters (negative ?H and ?S values), hydrogen bond and van der Waals play a major roles in the AVM–DNAinteraction. The results of the displacement experiments of Methylene blue and Hoechst showed that AVM binds to DNA via intercalate. Furthermore, UV–vis absorption spectra and CD data were used to investigate the structural changes of DNA with addition of AVM, the results indicate that the secondary structure of DNA molecule was changed in the presence of AVM. Furthermore, in the next part of this study, the interaction between DNA and glibenclamide was investigated. UV–vis study results confirmed that glibenclamide interacted with DNA to form a ground-state complex and values of the Stern–Volmer quenching constant values indicate the presence of a static component in the quenching mechanism. As indicated by the thermodynamic parameters (positive ?H and ?S values), hydrophobice force play a major roles in the glibenclamide –DNAinteraction. The results of the displacement experiments of Methylene blue and Hoechst showed that glibenclamide binds to DNA via intercalate. Furthermore, UV–vis absorption spectra and CD data were used to investigate the structural changes of DNA with addition of glibenclamide, the results indicate that the secondary structure of DNA molecule was changed in the presence of AVM.   

  Metal-organic frameworks or coordination polymers or MOFs are the latest class of ordered porous solids. Since their discovery many potential applications have been proposed in strategic domains such as catalysis, separation, magnetism or others. One of their key advantages compared to their organic (carbons) or inorganic counterparts (zeolites, silica), is the possibility to easily tune their composition through a change of the metal and/or the organic linker. Compared to zeolites, in addition to a wider chemical versatility, MOF structures exhibit a larger panel of pore sizes and shapes (tunnels, cages, etc), with sometimes a flexible porosity which allows to reversibly adapt the pore size to the adsorbate. Functionalization of the organic linker represents another advantage of MOFs with the possibility of grafting during or after the synthesis various organic functionalities (polar, apolar), changing thus the physicochemical properties of the solid. One of the major potential applications for MOFs is in drug delivery, considering their host–guest properties and facile modification via chemical synthesis. In this work, We have made three types of metal-organic frameworks based copper cationic structures, whose methods of making them have been based on ultrasonic, mechanical, and ultrasonic magnetic methods (U-CuBTC, S-CuBTC and M-CuBTC). In the third method, we were able to construct a completely new metal organic structure called M-CuBTC. The purpose of this thesis is to examine the framework including copper nuclei, in absorbing and liberating acriflavine. Acriflavine is one of the most interesting biological compounds used to treat bacterial, fungal or parasitic infections and infections in aquarium fish. In addition to bacteriostatic and antibacterial properties, it has antiviral ability against some viruses, binds DNA and RNA, and changes their physical form. Also, acriflavine Hydrochloride is known and used as an organic color. Magnetic nanoparticles are one of the most important and widely used types of nanomaterials, with their unique properties that make them more specific to other nanostructures. These particles can be used in different branches. Their role is particularly significant in the field of drug delivery and also as a catalyst for various reactions, since these materials are easily separated from the reaction solution by a magnet. It also facilitates targeting, which is essential for drug delivery.

  Abstract    In this study, we have focused on the fabrication and characterizations of three kinds of amino acid- modified chitosan (CS) nanoparticles structured by graft reaction with amino acid [L-alanine (Ala), L-asparagine (Asn) and L-tryptophan (Trp)]. It provides a condensed source of new insights and an improved understanding of the role of pH values of release medium on the percentage of cumulative release in advancing drug delivery. The structure of nanoparticles was elucidated by Fourier Transform Infrared Spectroscopy (FTIR) and UV-Vis spectroscopy. The shape, morphology, and mean particle size were determined by scanning electron microscopy (SEM). The nanoparticles effectively surrounded a hydrophobic model drug such as silymarin (Sly) and demonstrated different encapsulation efficiencies (EE), loading capacities (LC), and controlled drug release profiles depending on drug concentration, medium pH and type of amino acids. At pH 5, drug concentration has no effect on the LC of Sly-loaded Asn-nanoparticles while EE was increased with increasing the drug concentration, nonetheless at physiological pH (7.4), drug concentration did not affect the release rate and at high pH (9), EE was decreased with increasing drug concentration in all types of nanocarrier. The profile of cumulative release indicated that it was affected by the type of amino acids, medium pH and drug concentration. In addition, the interactions between hydrophobic moiety of nanoparticles and the hydrophobic drug have great effect on the release behavior. The affinity between the drug and the nanocarrier may contribute to the main mechanism determining drug release.

     In this study, outer spherical electron transfer between fullerene C60 and selective neuroleptic drugs (clozapine, droperidol, haloperidol, and meperidine) have been investigated. These drugs are called antipsychotics, anti-fluids and they are used in the treatment of illnesses that are accompanied by hallucinations or delusions. In fact, this study is focused on target drug delivery to the target tissue, a method that is probably more effective than traditional drug delivery methods. In this study, C60 was used as a drug nanocarier due to the lack of body resistance to carbon and the small amount of fullerenes that can pass through and excrete all parts of the body. First, optimize the molecular structure of selective neuroleptic drugs and their nano-complexes with fullerene C60 by using the convenient computational method of quantum mechanics under vacuum conditions and in the 6-31G* base series and the density function theory (DFT) method, with helping Spartan 10 software was designed and optimized. After optimization of the above structures, the dipole moment, structural energies and energy of boundary orbitals (HOMO and LUMO), the distance between HOMO and LUMO levels (?EHOMO-LUMO), charts and UV-Vis data were investiged by DFT-B3LYP / 6-31G * method. Subsequently, the complex of Meperidine and Fullerene C60 were evaluated by DFT and TD-DFT methods using Gaussian software. The main purpose of these calculation was evaluating some of the electro-optical properties of this complex, including the determination of bipolar momentum, relative stability and electron transfers, in excited state. In base state calculations, including structural optimization and NBO analysis were used the B3LYP method and for calculations in excited state   were used CAM-B3LYP method. According to the studied complex was used 6-31G++**.   The formation energy of this complex was calculated about 4.21 Kcal.mol-1, indicating that it is London force, the dipole moment is about 2.33 D, which is partially capable of dissolving in polar solvents such as water, so this drug system can be used for Meperidine drug and its family medicine. In this process, physicochemical parameters, such as free electron transfer energeis (?Get ), free activation energies (?G#et) and electron transfer rate constants (ket) and measurement of electromagnetism wavelengths (?max) in outer spherical photoelectron transfer process for the super-molecular nanocomplexes in this study was calculated by Rem-Wheeler equation and the equations for Marcos theory and Plancks equation. Also it be noted that the design of nanocomplexes, which are synthesized and proposed in chemistry texts for the first time, are one of the most promising innovations in the use of target drug delivery.The results were indicated that with binding of neuroleptic drugs to fullerenes, the energy of gap decreased and the bipolar moment increased. As a result, electron transfer was easier, so it can be concluded that the reactivity in the nano-carrier drug is increased than drug only. In addition, solubility in polar solvents (for example, water) has been increased. This result can consider in the pharmacy for these drugs and similar systems

  Although many medicines and therapies are provided for neurological problems, the serious side-effects of these drugs on other parts of the body are due to its complications, so making a medicine   that does not damage the health of other tissues and organs reach their goal by using nanotechnology to enter this field. In the meantime, the pharmaceutical industry has not gone away, and inventions of technology in pharmaceutical products have led to the introduction of new and novel products into the market. Today, there are many nanoparticle-based systems for transmitting and targeting drugs that are either well-developed or developing. The purpose of using nanoparticles (carriers of nanoparticles) is to reduce the degradation of drugs, prevent their side effects, increase access to drugs, and accumulate at the site of the lesion. Controlled medicine release is a process in which a calculated carrier is combined with a medicine to act as an active agent in the body in a predetermined manner and desirable to release it, thus optimizing its medicine release is of particular importance. In this study, the subject of photoelectron transfer between fullerene C60 and Phenothiazine medicines in psychopathic therapy is proposed using Marcos theory and quantum mechanical calculations. The C60 molecules are physically very powerful. Due to the lack of resistance of the body against carbon and the smallness of fullerenes, which allows them to pass through all parts of the body and excrete them, they have found a lot of medical expenses. Nanotechnology is not only an excellent tool for producing materials that are similar to biological systems, but also can deliver and deliver efficient systems.. You have it. In this study, using the methods of density functional theory (DFT) and time dependent density functional theory (TDDFT), the physical and chemical properties of the nano-compelex consisting of Thioridazine with fullerene C60 were studied. To carry out a comprehensive study, several descriptors were used in the base state, in which some electrochemical properties are based on the HOMO and LUMO orbital energy, hardness, softness, chemical potential, and mulliken load. After formation of complex (Thioridazine+C60) the dipole moment increased by 2.61, which indicates its solubility in polar solvents. Using the Marcos theory of electron transfer velocity, the free energy of activation Electron transfer and free energy The electron transfer for all PETs was calculated between these two species.

  In this research project, First, the La/CaO nano-catalyst was synthesized using microemulsion method. In the next stage, the La/CaO nano-catalyst was used in the transesterification reaction to production of biodiesel. Different variables influenced both the transesterification reaction and the performance of La/CaO nano-catalyst. The results of the optimization of variables include the following:  Calcination temperature of catalyst: 700?C - calcination time: 5 hours - the weight percent of the active phase to the base: 5% - reaction temperature: 70 ?C - reaction time: 5 hours - molar ratio of alcohol to oil: 18: 1 - the weight percent of catalyst to oil: 3%.  At the end of the optimization, the efficiency of the biodiesel production, using the transesterification reaction and in the presence of the La/CaO nano-catalyst, reached   97 %. The next objective of the project was to characterization the La/CaO nano-catalyst using different techniques such as XRD, SEM and BETAnother objective of the project was to investigate the thermodynamics and kinetics of the transesterification reaction in the presence of the La/CaO nanocatalyst. First, the changes in the thermodynamics functions were measured under standard conditions, namely ?rH? and ?rS? based on the governing chemical-physical relationshi   the obtained values ??are ?rH? = 70/8302 kJ/mol and ?rS?= -0/739 kJ/mol.k. In the next step, the transesterification reaction kinetics was studied. The aim was to determine the rate equation of the transesterification reaction and measure the kinetic variables such as the activation energy and the Arrhenius pre-exponential factor.. The obtained values for the activation energy and the Arrhenius pre-exponential factor ??were Ea = 73/6462 kJ/mol and A = 2/ 64 × 107 1/min.

A new water soluble [Cu(ephed)(phen)]Cl2.HCl complex in which ephed = pseudoephedrine hydrochloride and phen = 1,10-phenantheroline has been synthesized and characterized using physico-chemical, spectroscopic and computational methods. The binding interaction of this complex with calf thymus (ct-DNA) has been investigated by multi-spectroscopic techniques and molecular modeling study. The results of UV absorption spectroscopy indicated that [Cu(ephed)(phen)]Cl2.HCl interacted with ct-DNA in a groove binding mode Competitive fluorimetric studies with Hoechst 33258 have shown that copper complex exhibit the ability of this complex to displace with DNA-bounded Hoechst 33258, indicating that binds strongly in groove of DNA helix. Furthermore, the complex induces detectable changes in the CD spectrum of ct-DNA. All of  induces   the experimental results prove that the groove binding must be predominant. The results obtained from experimental data were be substantiated by molecular docking studiesIn addition, the interactions of [Cu(ephed)(phen)]Cl2.HCl complex with HSA were studied.The results indicated that binding of copper complex to HSA caused fluorescence quenching of HSA through static quenching mechanism. The thermodynamic parameters indicated that the hydrogen bonding and van der Waals force are the major forces in the stability of protein-[Cu(ephed)(phen)]Cl2.HCl complex.   The results of circular dichroism (CD) and UV–vis spectroscopy showed the binding of the copper(II) complex to HSA induced some conformational changes in HSA. According to the competition displacement, it appeared that the binding site of copper(II) complex the protein was around site I.    

  The interaction of the [Mn(mef)2(phen)H2O] complex in which mef : mefenamic acid drug and phen : 1,10 phenanthrolin ligand with ct-DNA and human serum albumin (HSA) has been investigated by using fluorescence different spectroscopic methods, molecular docking and viscometery. The fluorescence and UV absorption spectroscopy indicated that the complex interacted with ct-DNA via intercalating binding mode. The binding constant and the number of binding sites were 1.16×104 L mol-1 and 0.98 respectively. The fluorimetric studies showed that the reaction between the complex and ct-DNA is exothermic ( ; ). Furthermore, the complex induced changes in DNA viscosity. Circular dichroism spectroscopy (CD) was employed to measure the conformational changes of ct-DNA in the presence of the complex and verified, intercalation binding mode. The molecular modeling results illustrated that the complex interacted via intercalated by relative binding energy of -24.60 KJ mol-1.In addition, the interactions of [Mn(mef)2(phen)H2O]   complex with HSA were studied. The results indicated that binding of [Mn(mef)2(phen)H2O] complex to HSA caused fluorescence quenching of HSA.The thermodynamic parameters indicated that the hydrogen bonding and hydrophobic binding major forces in the stability of [Mn(mef)2(phen)H2O]   complex. The results of circular dichroism (CD), fluorescence and UV–vis spectroscopy showed the binding of the [Mn(mef)2(phen)H2O] complex to HSA induced some conformational changes in HSA.

In this study, One of the important issues of herbal drugs chemistry is finding the methods of separating and altering the dose of essential oil components. Due to multi wall carbon Nano tubes (MWCNT) and Expanded Graphite specific prosperities such as serving choices of being good absorbent materials; they are used to separate some combinations and/or altering the dose of essential oil components. In this study, the application of MWCNT properties in the absorption of the Melissa of?cinalis L. Essential oil chemical components and altering its dose of 3-Octanone has been experimentally and theoretically investigated. The volatile constituents from the aerial parts of Melissa officinalis L. (Lemon balm) were collected from cultivate growing plants in Kurdistan (Iran), were extracted by hydro-distillation method and were analyzed by GC/Mass spectrometry. In the essential oil of the plants, 11 components were identified; namely,the components included (E)-citral (29.11%), Neral (28.06%), Citronellal (16.48%), cis-2H-3a-Methyl-octahydro-Inden-2-one (13.74%), trans-para-Mentha-1(7),8-dien-2-ol (5.94%), trans-Caryophyllene (4.27%), Methyl palmitate (0.98%), 3-Octanone (0.59%), Trifluoroacetyl lavandulol (0.46%), 3a,4,5,7a-Tetrahydro-4-hydr-1 (3H)-isobenzofuranone (0.20%) and Methyl geranat (0.17%), respectively. The experimental result from GC/Mass has demonstrated that by using MWCNTs and separation operation of essential oil Melissa of?cinalis L. the 3-Octanone specie increased from 0.59% to be 5.64%. Also by using Expanded Graphite Methyl palmitate increased from 0.98% to 6.25%. The other components were eliminated or reduced in the final residue. The results were investigated by comparing the GC/Mass spectrum of MWCNT and Expanded Graphite and SEM experiment of MWCNT before and after absorption. Then, the absorption of the components on MWCNT and Expanded Graphite was modeled.   

In this study, an attempt has been made to study the interaction of a Zn(II) complex containing an antibiotic drug, ciprofloxacin, with calf thymus DNA using spectroscopic methods. It was found that Zn(II) complex could bind with DNA via partial intercalation mode as evidenced by: hyperchromism in UV–vis spectrum; these spectral characteristics suggest that the Zn(II) complex interacts with DNA most likely through a mode that involves a stacking interaction between the aromatic chromophore and the base pairs of DNA. DNA binding constant (Kb=1.4×104 M-1) from spectrophotometric studies of the interaction of Zn(II) complex with DNA is comparable to those of some DNA intercalative polypyridyl Ru(II) complexes (1.0–4.8×104 M-1). CD study showed stabilization of the right-handed B form of DNA in the presence of Zn(II) complex as observed for the classical intercalator methylene blue. Thermodynamic parameters (?H < 0 and ?S < 0) indicated that hydrogen bond and Van der Waals play main roles in this binding prose. Competitive fluorimetric studies with methylene blue (MB) dye have shown that Zn(II) complex exhibit the ability of this complex to displace with DNA-MB, indicating that it binds to DNA in strong competition with MB for the intercalation.

A new platinum(II) complex containing caffeine and phenanthroline ligands, [Pt(caf)2phen]Cl2, (caf: caffeine ; phen: 1,10-phenanthroline) was synthesized and characterized using spectroscopic methods. The interaction of caffeine this platinum(II) complex with calf thymus (ct-DNA) in Tris–HCl buffer solutions (pH = 7.4) was studied. The binding constant of platinum(II) complex was calculated (2.14×103 M?1). The binding mode was analyzed by competitive fluorescence studies using Hoechst33258 as a fluorescence prob. These experimental results suggested that platinum(II) complex is a groove binder.  

Study on the interaction mechanism between Mebeverine and Calf Thymus DNA in the presence of different metal ion using multispectroscopic.

  Abstract   Metal-organic frameworks (MOFs) also known as porous coordination polymers (PCPs) have attracted the attention of chemists, physicists, and materials scientists because of interest in the creation of nanometer-sized spaces and the novel phenomena in them. There is also interest in their application in adsorption, separation, catalysis, magnetism, sensing, and drug delivery. MOFs are typically constructed by connecting secondary building units (SBUs) consist of metal ions with organic connectors to produce various networks. They are completely regular, have high porosity, highly designable frameworks, and tunable functionalities. These properties make MOFs suitable for various application especially in trap and adsorption affinities for dangerous material. In this research absorption and desorption of iodine molecules and their structural affects using three Zr-MOFs have studied. Absorption and desorption of these guests in highly stable three-dimensionlal (3D) porous coordination polymers UiO-66 (Zr-bdc=1, 4-benzenedicarboxylate), UiO-66-NH2 (Zr-NH2-bdc=2-amino-benzenedicarboxylic acid) and UiO-66-vac (UiO-66 with defects) was investigated. The samples were characterized with powder x-ray diffraction (PXRD), fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), nitrogen adsorption and desorption isotherms (BET) analysis, thermogravimetric analysis (TGA), UV–vis spectroscopy, transmission electron microscopy (TEM) and x-ray photoelectron spectroscopy (XPS).The MOF containing NH2 groups have high capacity for iodine capture because of having high porosity, creating charge-transfer complexes between NH2 and I2 molecules. It has also higher iodine adsorption rate more than two other MOFs.The TEM image after iodine incorporated into MOFs has shown some differences on the morphology of particles proving iodine adsorption either on surface or into pores of MOF.The amounts of guest adsorbed into these Zr-MOFs had comparable and the sorption rate, especially for UiO-66-NH2 had higher than those previously reported. In addition, the UiO-66 MOF has shown the lowest amount of iodine sorption which can be reffered to its lower surface area, having no defects in its structure and Shortage of functional groups proportion to Uio-66-NH2.It particularly have demonstrated the quick sorption process of I2 in diluted n-hexane in Zr-based MOFs, and the influence of porosity and functionalization to maximize the loading capacity.AbstractMetal organic frameworks (MOFs) also known as porous coordination polymers (PCPs) have attracted the attention of chemists, physicists, and materials scientists because of interest in the creation of nanometer-sized spaces and the novel phenomena in them. There is also interest in their application in adsorption, separation, catalysis, magnetism, sensing and drug delivery. MOFs are typically constructed by connecting secondary building units (SBUs) consist of metal ions with organic connectors to produce various networks. They are completely regular, have high porosity, highly designable frameworks and tunable functionalities. These properties make MOFs suitable for various application especially in trap and adsorption affinities for dangerous material. In this research absorption and desorption of iodine molecules, their structural affects and kinetic surveys using three Zr-MOFs have studied. Absorption and desorption of these guests in highly stable three-dimensionlal (3D) porous coordination polymers UiO-66, UiO-66-NH2