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.

Background and Aim: The interaction of drugs and nanodrugs with biological macromolecules such as human serum albumin (HSA) and DNA plays a crucial role in their stability, bioavailability, and therapeutic efficacy. Previous studies have shown that deferoxamine, in addition to its clinical applications as an iron chelator, exhibits notable anticancer effects, and nanostructuring can enhance its stability and biological performance. The aim of this study was to investigate the interactions of free deferoxamine and its iron oxide nanoparticle form with HSA and calf thymus DNA, and subsequently to evaluate their anticancer effects on gastric cancer cells.    Materials and Methods: The interactions of the drug and nanodrug with HSA and calf thymus DNA were analyzed using UV–Vis spectroscopy, fluorescence spectroscopy, and circular dichroism (CD). Molecular docking studies were also performed to determine precise binding sites. Cellular assays, including MTT, intracellular ROS measurement, cell cycle analysis, and apoptosis evaluation, were conducted to assess anticancer effects on gastric cancer cell lines.    Results: Spectroscopic and molecular docking results indicated that both compounds bind to the warfarin site on HSA and preferentially interact with the minor groove (Hoechst site) of DNA. CD spectra revealed an increase in the ?-helix content of HSA in the presence of both compounds, while structural disorder was induced in DNA. Cellular assays demonstrated significant reductions in cell viability, increased ROS production, induction of apoptosis, and cell cycle disruption, with the anticancer effect of the deferoxamine nanodrug being notably stronger than that of the free drug.    Conclusion and Discussion: The results of spectroscopic and docking studies showed that free deferoxamine and its iron oxide nanoparticle form exhibit similar interaction patterns with HSA and calf thymus DNA, binding to the warfarin site in HSA and the minor groove of DNA. Cellular assays further revealed that the nanodrug exerts stronger reductions in cell viability, higher ROS production, greater apoptosis induction, and more pronounced cell cycle disruption in gastric cancer cells, indicating enhanced anticancer effects at the nanoscale.   

  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

      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 study explores

Abstract: In this thesis, simple and novel nano probes were synthesized for the fluorescence-electrochemical detection of Tau protein in Alzheimer’s disease. Chapter 1: This introductory chapter is intended to give a basic overview of the current understanding of CDs and their properties, CDs fluorescent sensing mechanism, ratiometric sensing, and different types of CDs mechanisms. Chapter 2: Dual-emissive CDs were synthesized by incorporating blue-emitting and red-emitting carbon dots. These CDs served as a ratiometric probe for the detection of Tau protein in AD. The resulting material displayed dual emissions with peaks at 502 nm and 634 nm when excited at 410 nm. Consequently, a novel detection method for the Tau protein utilizing the NCND@GO/S.CD@ssDNA sensor was established, featuring detection limits of 1 nM to 50 nM (LOD=5 pM). As a ratiometric fluorescent sensor, NCND@GO/S.CD@ssDNA exhibited remarkable sensitivity and selectivity for the detection of Tau protein in AD. Chapter 3: Reports the fabrication of a sensitive label-free immunosensor for Tau protein based on the Ag NWs and S.CD using differential pulse voltammetry (DPV). The response of the fabricated immunosensor was proportional to the Tau protein concentration, demonstrating linearity within the range of 70 fg/ml to 70 µg/ml, with a low detection limit (LOD=0.05 pg/ml). The immunosensor also exhibited superior stability, selectivity, and reproducibility.    Keywords: Dual-mode immunosensor, dual-emissive CDs, GO, FRET, Ag nanowire, Alzheimer's Disease, Tau protein.   

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  In this thesis, a method for the synthesis of novel compositepearlescent pigments using MWO4

  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.   

   Mercury ions are not degradable and their abnormal accumulation in the human body can cause various diseases. It is very important to develop a method with excellent performance to identify mercury ions in the environment. The fluorescent probe has attracted much attention due to its excellent properties (eg, easy operation, low detection limit). Composites of carbon dots and organometallic frameworks are emerging as fluorescent sensors due to their ease of synthesis, high selectivity and sensitivity to analytes. Carbon dots and metal organic frameworks sensors combine the advantages of both carbon dots and metal organic frameworks, including the excellent optical properties of carbon dots and high surface area, tunable porosity, and design capabilities of metal organic frameworks, leading to increased performance. In this work, using composites containing carbon dots and organometallic frameworks along with metal nanoclusters, we designed probes that can detect small amounts of mercury.

   In this work, nanocomposite hydrogels containing CsMe, PVA, ZnO-   were prepared as wound dressing.The purpose of this research is to investigate the performance of ZnO-   in the wound healing process and compare it with ZnO ontinment in the wound healing process. In vivo studies demonstrated that the group treated with hydrogel containing ZnO-   (0.5%) caused faster wound healing compare to the other group. In the group treated with ZnO ointment, The results showed that wound healing using ZnO in the form of nanoparticles is better than using ZnO ointment

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.  

   Abstract The thesis consists of two section: Oxidation sulfide to sulfoxide Metal-organic frameworks (MOFs) have attracted a lot of attention in the field of photocatalysis because MOFs make shift from using photocatalyst in UV to visible light and improve photocatalytic activity and selectivity. In this work, Ti-MOF (NH2-MIL-125(Ti)) was synthesised by solvothermal method, then NH2-MIL-125(Ti)@CuCoNi was prepared by loading trimetallic Cu-Co-Ni nanoparticles (  ) on NH2-MIL-125(Ti) through a solution impregnation method for use as a heterogeneous photocatalyst.   The crystallinity, functional groups, morphology, elemental composition, specific surface area, thermal stability and optical properties of the catalyst were characterized by different techniques, such as Powder X-Ray diffraction (PXRD), Fourier transform infrared spectra (FTIR), Field emission scanning electron microscopy (FE-SEM), Energy dispersive spectroscopy (EDS), Brunauer–Emmett–Teller analysis (BET), Thermogravimetric analysis (TGA) and UV-Vis diffuse reflectance spectra (DRS). The NH2-MIL-125(Ti)@CuCoNi was used for the selective photocatalytic oxidation sulfides to sulfoxides in the presence of H2O2 30% under visible light irradiation and the products were obtained with good to high yields. Dye degradation   H2-MIL-125(Ti)@CuCoNi was used as high efficiency heterogeneous photocatalyst for the degradation of Rhodamine B dye under optimal conditions and visible light irradiation. the degradation rate of Rhodamine B in the presence trace amount of H2O2 30% under visible light irradiation was 96.28%. Keywords: Metal-organic framework, NH2-MIL-125(Ti), NH2-MIL-125(Ti)@CuCoNi, Nanoparticles, Photocatalyst, Oxidation, Sulfide, Sulfoxide, Dye degradation.

Sodium dithionite (Na?S2O4) is a highly reactive white crystalline powder with a sulfur smell. And in particular, it Is used as a strong reducing and bleaching agent in many applications, including biological sciences, textiles, papermaking, and food industries. Lead or silver.The purpose of this research was to measure sodium dithionite in flour and bread samples using silver nanoparticles functionalized with black mulberry. Flour and bread samples purchased from bakeries all over the city were examined. The linear range and detection limit were 0.2 to 5.6 mg and 0.1 liter/mg, respectively. The correlation coefficient (R2=0.958) was close to was 1 and the measurement error of the method is less than 20%.Determination of water hardness is of vital importance for potable water. And also for water used in industrial purposes. Hard water creates a cloudy and undesirable layer on hair, cloth, and glassware.Water hardness is generally caused by barium ions, iron ions, strontium ions, zinc ions, calcium ions, and magnesium ions. Traditionally, total hardness is defined as the sum of the concentrations of calcium ions and magnesium ions in milligrams per liter of calcium carbonate (CaCO? ) is defined.In this method, due to the non-specific but selective behavior of silver nanoparticles synthesized with these ions, successfully to determine the total hardness of water, this is the same event that occurs in standard titrimetry, it is possible to determine the hardness of silver nanoparticles prepared All the water used. The color changes of silver nanoparticles in the presence of different water samples were confirmed, which Is a good indicator of the hardness of the whole water samples. This method was used quantitatively and semi-quantitatively to determine the hardness of all water samples.Next, PLS was used for the first time to directly determine the total hardness of water samples.Sodium hydrogen carbonate or sodium bicarbonate with the formula (NaHCO?) is one of the sodium salts combined with carbonic acid, where only one acidic hydrogen of this compound is replaced by sodium. This composition Is odorless and tasteless, it has a slightly pungent effect and is in the form of a white or crystalline powder, and it is called baking soda. Bicarbonate is moisture absorbent and deodorizer. Sodium hydrogen carbonate is also used to make bread dough porous.In this work, to measure sodium bicarbonate, silver nanoparticles were first synthesized from black mulberry quantum dots. The linear range obtained from the method is 2 to 6.5 mg and the limit of detection is 0.1 liter/mg, the measurement error The method for the real sample is 15%.Keyword: sodium dithionite, sodium bicarbonate, baking soda, flour, bread, silver nanoparticles, quantum dots, water hardness, colorimetry 

120 In the first work of this project cellulose nanocrystals (CNC) were first prepared by acid hydrolysis and its structure was determined by Fourier Transform Infrared Spectroscopy (FT-IR) and Field Emission Scanning Electron Microscopy (FE-SEM). Measurement of hypochlorite ion was used in water samples. Under optimal conditions, the standard deviation of the method for 5 repetitions equals 9.48%, and the linear range, detection limit, and quantification limit of the method were 0.01 to 0.18 wt%, 0.007 wt% and 0.01 wt%, respectively for Red color changes Also, the detection lmit and quantification limit for Green color changes was equal to 0.007wt% and 0.024 wt% and for Blue color it was equal to 0.013 wt% and 0.043 wt%.

  removal of dye, heavy metals and salts from aqueous solutions using hydrophilic and antifouling nanofiltration membranes embedded by cholorinated SBA-15 based Thio-imidazole

   In this work, CiE/CPES mixed matrix membrane was synthesized by phase inversion method, which considered two anti-fouling and antibacterial properties. By combining CPES and CiE, both anti-fouling and antibacterial properties were significantly improved in CiE/CPES nanofiltration membrane. In order to characterization of modified membrane, SEM, AFM, ATR – FTIR, WCA and porosity measurement were performed. SEM images showed wider finger-like pores compared to unfilled CPES membrane. AFM images exhibited that the addition of CiE to polymer matrix had a positive effect on reducing the surface roughness and the surface of CiE/CPES membranes at all weight percentages of CiE has been significantly smoothed. BSA used as foulant to evaluate the anti-fouling properties of synthesized membranes. The results showed excellent self-cleaning properties (more than 95%) in all weight percentages of CiE, which indicates the successful embedment of CPES in the membrane. Also, fouling resistance parameters like Rm, Rc, Rp and Rt were evaluated and the results showed improved performance of mixed matrix NF membrane in anti-fouling properties. To confirm the antibacterial properties of CiE, agar diffusion test was investigated. A clear large halo around the CiE was observed for both model bacteria. The average halo radius was 50.98 mm for E. coli and 52.84 mm for S. aureus, which showed better performance compared to other routine studies. In order to check the antibacterial performance of membranes, bacteria suspension immersion test and SEM analysis were investigated. The results showed a significant reduction of bacteria on the surface compared to the control sample, which confirms the excellent performance of CiE in the membrane. To measure the separation performance of the membranes, the BTW rejection was evaluated. The results provided very good efficiency in BTW purification.

  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 research, measuring the concentration of ammonia and sodium dithionite with a simple and low-cost method has been investigated. For this purpose, a number of experiments have been designed and conducted under standard conditions. Also, a comparison between the accuracy of the mentioned method with the concentration values ??recorded on a number of real samples has been researched. Investigating and measuring the concentration of the substances in question has been done using colorimetric and spectrophotometric methods. The evaluation of the obtained statistical parameters has been calculated using the methods of analysis of variance, RMS and error percentage. The obtained results indicate that salicylate and hypochlorite are effective in changing the color of the solution containing ammonia. Also, the sensitivity of the proposed method in determining the concentration of sodium dithionite in the discussed research was evaluated favorably.

   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

AbstractIn this study,the density of binarysystems(Potassium cyanide -water and thio glycolic acid-water) and ternary systems(Potassium cyanide -water-thio glycolic acid)   at temperatures rang of   (293.15k, 298.15k, 303.15k )   and at atmospheric pressure is measured .Fromdensity data, the excess molar volume for each mixture was calculated. additional  excess molar volume data were obtainedby the equation Redlich-Kister. the experimental results showedthat the excess molar volume was negative for all systems and increased withincreasing temperature .In thefollowing, the interactions in the binary and ternary mixtures were calculatedusing molecular dynamics simulation. In liquid phase, by optimized potentialsfor liquid simulations (OPLS) force field, the molecular dynamics simulationshave been carried out and used to calculation of the densities, radialdistribution functions (RDFs), and diffusion of the mixtures with differentmole fractions at 298.15 K and at 1.0 atm. For these mixtures, by moleculardynamic simulation the hydrogen bonding (H- .bonding) interactions wereinvestigated and discussed.  

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.

Abstract The making dyes and dyeing industries have a long history. Many consumer products are dyed in advanced societies in order to have a beautiful appearance, general attractiveness and acceptance for final consumption. Dyes are considered as micro-pollutants in aquatic ecosystems due to their low concentration (nanogerams to microgerams per liter). Dyes typically contain one or more benzene rings that can be carcinogenic due to their toxicity and degradability. If these dyes enter the environment, they cause irreparable damage. Therefore, dye treatment of wastewater is a major concern for the environment. In this project, after synthesizing magnetic nanoparticles of iron (magnetite) by co-precipitation method and coating them with some organic compounds (such as: palmitic acid, oleic acid, stearic acid, etc.) and identifying them by methods (such as FT-IR, SEM, VSM, EDS, XRD, BET and zeta potential), their application in neutral and alkaline environments for the separation of Direct Red 16 and methyl orange anionic dyes and methylene blue cationic dyes of effluent of textile industry effluents was investigated. The results obtained from the experiments showed that among the synthesized nanoparticles, iron oxide with CTAB coating for the two anionic dyes Direct Red 16 and methyl orange with the removal efficiencies of 99.51% and 97.26% in neutral environments, respectively, had the highest efficiency. For methylene blue cationic dye, iron oxide nanoparticles with oleic acid coating with 99.02% showed the highest dye removal in alkaline medium. Also, the stability of nanoparticles up to at least 5 consecutive uses without significant activity loss for Direct Red 16 dye was observed in this project.       Keywords: Magnetic Nanoparticles (Magnetite), Surface Adsorption, Direct Red 16 Dye, Methyl Orange and Methylene Blue, Wastewater Treatment of Textile Industries.   

   Quantum dots are semiconductor nanocrystals that have tunable emission through changes in their size. Producing bright, efficient quantum dots with stable fluorescence is important for using them in applications in lighting, photovoltaics, detection, and biological imaging. This study designed to optimize the process for coating CdTe quantum dots with a ZnS to increase their fluorescence and stability and using of CdTe/ZnS for analytical application. Core-shell CdTe/ZnS quantum dots with 3-mercaptopropionic acid (MPA) as stabilizer were successfully synthesized by hydrothermal method in aqueous solution. These quantum dots have advantages compared to usual quantum dots with limited biological applications and high toxicity. Corresponding experimental results revealed that the fluorescence of MPA-TGA-CdTe/ZnS QDs could be effectively quenched by increasing NR and the photo luminescence (PL) of QDs was into turn –off, the static quenching was quenching mechanism that occurred between NR and QDs. After the addition of Naproxen, the strong covalent conjugation between NR and Naproxen allowed NR to form more stable complex with Naproxen, and separated from the surface of MPA-TGA-CdTe/ZnS QDs, thus, the QDs turned-on and the fluorescence intensity of QDs recovered .The detection limits of naproxen was 5.12×10-6mol.l-1 .The interactions of Naproxen , neutral red (NR) and 3-mercaptopropionic acid (MPA) capped MPA-TGA-CdTe/ZnS quantum dots (QDs) made a solid base for the controlling of the fluorescent reversible of QDs. This research characterized by means of Powder X-ray diffraction, Fourier transform infrared, ultraviolet–visible absorption, fluorescence (FL), spectroscopy and High Resolution transmission electron microscopy.