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Citation - WoS: 46
Citation - Scopus: 49
Biocompatible Electroactive Tetra(aniline)-Conjugated Peptide Nanofibers for Neural Differentiation
(Amer Chemical Soc, 2018) Arioz, Idil; Erol, Ozlem; Bakan, Gokhan; Dikecoglu, F. Begum; Topal, Ahmet E.; Urel, Mustafa; Guler, Mustafa O.
Peripheral nerve injuries cause devastating problems for the quality of patients' lives, and regeneration following damage to the peripheral nervous system is limited depending on the degree of the damage. Use of nanobiomaterials can provide therapeutic approaches for the treatment of peripheral nerve injuries. Electroactive biomaterials, in particular, can provide a promising cure for the regeneration of nerve defects. Here, a supramolecular electroactive nanosystem with tetra(aniline) (TA)-containing peptide nanofibers was developed and utilized for nerve regeneration. Self-assembled TA conjugated peptide nanofibers demonstrated electroactive behavior. The electroactive self-assembled peptide nanofibers formed a well-defined three-dimensional nanofiber network mimicking the extracellular matrix of the neuronal cells. Neurite outgrowth was improved on the electroactive TA nanofiber gels. The neural differentiation of PC-12 cells was more advanced on electroactive peptide nanofiber gels, and these biomaterials are promising for further use in therapeutic neural regeneration applications.
Citation - WoS: 3
Citation - Scopus: 5
Calcium Carbonate/Polydopamine Composite Nanoplatform Based on Tgf-Β Blockade for Comfortable Cancer Immunotherapy
(Amer Chemical Soc, 2024) Li, Yunmeng; Wang, Deqiang; Sun, Jian; Hao, Zhaokun; Tang, Letian; Sun, Wanru; Wang, Ranran
Cancer pain seriously reduces the quality of life of cancer patients. However, most research about cancer focuses solely on inhibiting tumor growth, neglecting the issue of cancer pain. Therefore, the development of therapeutic agents with both tumor suppression and cancer pain relief is crucial to achieve human-centered treatment. Here, the work reports curcumin (CUR) and ropivacaine (Ropi) coincorporating CaCO3/PDA nanoparticles (CaPNMCUR+Ropi) that realized efficient tumor immunotherapy and cancer pain suppression. The therapeutic efficiency and mechanism are revealed in vitro and in vivo. The results indicate that CaPNMCUR+Ropi underwent tumor microenvironment-responsive degradation and realized rapid release of calcium ions, Ropi, and CUR. The excessive intracellular calcium triggered the apoptosis of tumor cells, and the transient pain caused by the tumor injection was relieved by Ropi. Simultaneously, CUR reduced the levels of immunosuppressive factor (TGF-beta) and inflammatory factor (IL-6, IL-1 beta, and TNF-alpha) in the tumor microenvironment, thereby continuously augmenting the immune response and alleviating inflammatory pain of cancer animals. Meanwhile, the decrease of TGF-beta leads to the reduction of transient receptor potential vanilloid 1 (TRPV1) expression, thereby alleviating hyperalgesia and achieving long-lasting analgesic effects. The design of the nanosystem provides a novel idea for human-centered tumor treatment in the future.
Citation - WoS: 22
Citation - Scopus: 23
Complete Dehydrogenation of Hydrazine Borane on Manganese Oxide Nanorod-Supported Ni@ir Core-Shell Nanoparticles
(Amer Chemical Soc, 2020) Yurderi, Mehmet; Top, Tuba; Bulut, Ahmet; Kanberoglu, Gulsah Saydan; Kaya, Murat; Zahmakiran, Mehmet
Hydrazine borane (HB; N2H4BH3) has been considered to be one of the most promising solid chemical hydrogen storage materials owing to its high hydrogen capacity and stability under ambient conditions. Despite that, the high purity of hydrogen production from the complete dehydrogenation of HB stands as a major problem that needs to be solved for the convenient use of HB in on-demand hydrogen production systems. In this study, we describe the development of a new catalytic material comprised of bimetallic Ni@Ir core-shell nanoparticles (NPs) supported on OMS-2-type manganese oxide octahedral molecular sieve nanorods (Ni@Ir/OMS-2), which can reproducibly be prepared by following a synthesis protocol including (i) the oleylamine-mediated preparation of colloidal Ni@Ir NPs and (ii) wet impregnation of these ex situ synthesized Ni@Ir NPs onto the OMS-2 surface. The characterization of Ni@Ir/OMS-2 has been done by using various spectroscopic and visualization techniques, and their results have revealed the formation of well-dispersed Ni@Ir core-shell NPs on the surface of OMS-2. The catalytic employment of Ni@Ir/OMS-2 in the dehydrogenation of HB showed that Ni-0.22@Ir-0.78/OMS-2 exhibited high dehydrogenation selectivity (>99%) at complete conversion with a turnover frequency (TOF) value of 2590 h(-1) at 323 K, which is the highest activity value among all reported catalysts for the complete dehydrogenation of HB. Furthermore, the Ni-0.22@Ir-0.78/OMS-2 catalyst enables facile recovery and high stability against agglomeration and leaching, which make it a reusable catalyst in the complete dehydrogenation of HB. The studies reported herein also include the collection of wealthy kinetic data to determine the activation parameters for Ni-0.22@Ir-0.78/OMS-2-catalyzed dehydrogenation of HB.
Citation - WoS: 102
Citation - Scopus: 107
Copper(0) Nanoparticles Supported on Silica-Coated Cobalt Ferrite Magnetic Particles: Cost Effective Catalyst in the Hydrolysis of Ammonia-Borane With an Exceptional Reusability Performance
(Amer Chemical Soc, 2012) Kaya, Murat; Zahmakiran, Mehmet; Ozkar, Saim; Volkan, Murvet
Herein we report the development of a new and cost-effective nanocomposite catalyst for the hydrolysis of ammonia-borane (NH3BH3), which is considered to be one of the most promising solid hydrogen carriers because of its high gravimetric hydrogen storage capacity (19.6% wt) and low molecular weight. The new catalyst system consisting of copper nanoparticles supported on magnetic SiO2/CoFe2O4 particles was reproducibly prepared by wet-impregnation of Cu(II) ions on SiO2/CoFe2O4 followed by in situ reduction of the Cu(II) ions on the surface of magnetic support during the hydrolysis of NH3BH3 and characterized by ICP-MS, XRD, XPS, TEM, HR-TEM and N-2 adsorption-desorption technique. Copper nanoparticles supported on silica coated cobalt(II) ferrite SiO2/CoFe2O4 (CuNPs@SCF) act as highly active catalyst in the hydrolysis of ammonia-borane, providing an initial turnover frequency of TOF = 2400 h(-1) at room temperature, which is not only higher than all the non-noble metal catalysts but also higher than the majority of the noble metal based homogeneous and heterogeneous catalysts employed in the same reaction.. More importantly, they were easily recovered by using a permanent magnet in the reactor wall and reused for up, to 10 recycles without losing their inherent catalytic activity significantly, which demonstrates the exceptional reusability of the CuNPs@SCF catalyst.
Citation - WoS: 19
Citation - Scopus: 18
Deviations From Born-Oppenheimer Theory in Structural Chemistry: Jahn-Teller, Pseudo Jahn-Teller, and Hidden Pseudo Jahn-Teller Effects in C₃h_{3< and C₃h_3<}
(Amer Chemical Soc, 2013) Kayi, H.; Garcia-Fernandez, P.; Bersuker, I. B.; Boggs, J. E.
The electronic structure and vibronic coupling in two similar molecular systems, radical C3H3 and anion C3H3-, in ground and excited states, are investigated in detail to show how their equilibrium structures, in deviation from the Born-Oppenheimer approximation, originate from the vibronic mixing of at least two electronic states, producing the Jahn-Teller UT), pseudo JT (PJT), and hidden PJT effects. Starting with the high-symmetry geometry D3h of C3H3, we evaluated its 2-fold degenerate ground electronic state 2E" and two lowest excited states 2A,' and 2E' and found that all of them contribute to the distortion of the ground state via the JT vibronic coupling problem E" e' and two PJT problems (E" + A(1)') circle star e" and (E" + E') circle times (a2" + e"); all the three active normal modes e'(1335 e"(1030 cm(-1)), and a2"(778 cm(-1)) are imaginary, meaning that all the three vibronic couplings are sufficiently strong to cause instability, albeit in different directions. The first of them, the ground state JT effect, enhances one of the C-C bonds (toward an ethylenic form with C-2v symmetry), while the two PJT effects produce, respectively, cis (a(2)" toward C-3v symmetry) and trans (e") puckering of the hydrogen atoms. As a result, C3H3 has two coexisting equilibrium configurations with different geometry. In the C3H3- anion, the ground electronic state in DA symmetry is an orbitally nondegenerate spin triplet (3)A(2)' with a group of close in energy singlet and triplet excited states in the order of (1)A(1),', (3)A(1)', E-1", E-3", and E-1'. This shows that two PJT couplings, (3A(2)' + (3)A(1)") circle times a(2)" and (3A2' + 3E") e", may influence the geometry of the equilibrium structure in the 3A2' state. Indeed, both vibrational modes, a(2)"(1034 cm(-1)) and e"(1284 cm(-1)), are imaginary in this state. Similar to the radical case, they produce, respectively, cis (a(2)") and trans (e") puckering of the hydrogen atoms, but no e' distortion of the basic C-3 triangle; the equilibrium configuration with Cs symmetry occurs along the stronger e" distortions. Another higher-in-energy triplet-state minimum with C-2v symmetry emerges as a result of a strong JTE in the excited 3E" electronic state. In addition to these APES minima with spin-triplet electronic states, the system has a coexisting minimum with a spin-singlet electronic state, which is shown to be due to the hidden PJT effect that couples two singlet excited states. The two lowest equilibrium configurations of the C3H3- anion with different geometry and spin realize a (common to all electronic e(2) configurations) magnetic and structural bistability accompanied by a spin crossover. Some general spectroscopic consequences are also noted. As a whole, this article is intended to demonstrate the efficiency of the vibronic coupling approach in rationalizing the origin of complicated structural features of molecular systems as due to a combination of nonadiabatic JT effects.
Citation - WoS: 7
Citation - Scopus: 7
Dft Insights Into Noble Gold-Based Compound Li5aup2: Effect of Pressure on Physical Properties
(Amer Chemical Soc, 2023) Surucu, Gokhan; Gencer, Aysenur; Surucu, Ozge; Ali, Md. Ashraf
In this study, the Li5AuP2 compound is investigated in detail due to the unique chemical properties of gold that are different from other metals. Pressure is applied to the compound from 0 to 25 GPa to reveal its structural, mechanical, electronic, and dynamical properties using density functional theory (DFT). Within this pressure range, the compound is optimized with a tetragonal crystal structure, making it mechanically and dynam-ically stable above 18 GPa and resulting in an increment of bulk, shear, and Young's moduli of Li5AuP2. Pressure application, furthermore, changes the brittle or ductile nature of the compound. The anisotropic elastic and sound wave velocities are visualized in three dimensions. The thermal properties of the Li5AuP2 compound are obtained, including enthalpy, free energy, entropy x T, heat capacity, and Debye temperature. The electronic properties of the Li5AuP2 compound are studied using the Perdew-Burke-Ernzerhof (PBE) and Heyd-Scuseria-Ernzerhof (HSE) functionals. The pressure increment is found to result in higher band gap values. The Mulliken and bond overlap populations are also determined to reveal the chemical nature of this compound. The optical properties, such as dielectric functions, refractive index, and energy loss function of the Li5AuP2 compound, are established in detail. To our knowledge, this is the first attempt to study this compound in such detail, thus, making the results obtained here beneficial for future studies related to the chemistry of gold.
Citation - WoS: 60
Citation - Scopus: 62
Fabrication of Supramolecular N/P-nanowires via Coassembly of Oppositely Charged Peptide-Chromophore Systems in Aqueous Media
(Amer Chemical Soc, 2017) Khalily, Mohammad Aref; Bakan, Gokhan; Kucukoz, Betul; Topal, Ahmet Emin; Karatay, Ahmet; Yaglioglu, H. Gul; Guler, Mustafa O.
Fabrication of supramolecular electroactive materials at the nanoscale with well-defined size, shape, composition, and organization in aqueous medium is a current challenge. Herein we report construction of supramolecular charge-transfer complex one-dimensional (1D) nanowires consisting of highly ordered mixed-stack pi-electron donor-acceptor (D-A) domains. We synthesized n-type and p-type beta-sheet forming short peptide-chromophore conjugates, which assemble separately into well-ordered nanofibers in aqueous media. These complementary p-type and n-type nanofibers coassemble via hydrogen bonding, charge-transfer complex, and electrostatic interactions to generate highly uniform supramolecular n/p-coassembled 1D nanowires. This molecular design ensures highly ordered arrangement of D-A stacks within n/p-coassembled supramolecular nanowires. The supramolecular n/p-coassembled nanowires were found to be formed by A D-A unit cells having an association constant (K-A) of 5.18 x 10(5) M-1. In addition, electrical measurements revealed that supramolecular n/p-coassembled nanowires are approximately 2400 and 10 times more conductive than individual n-type and p-type nanofibers, respectively. This facile strategy allows fabrication of well-defined supramolecular electroactive nanomaterials in aqueous media, which can find a variety of applications in optoelectronics, photovoltaics, organic chromophore arrays, and bioelectronics.
Citation - WoS: 57
Fast Neutron Imaging With Semiconductor Nanocrystal Scintillators
(Amer Chemical Soc, 2020) McCall, Kyle M.; Sakhatskyi, Kostiantyn; Lehmann, Eberhard; Walfort, Bernhard; Losko, Adrian S.; Montanarella, Federico; Kovalenko, Maksym, V
Fast neutrons offer high penetration capabilities for both light and dense materials due to their comparatively low interaction cross sections, making them ideal for the imaging of large-scale objects such as large fossils or as-built plane turbines, for which X-rays or thermal neutrons do not provide sufficient penetration. However, inefficient fast neutron detection limits widespread application of this technique. Traditional phosphors such as ZnS:Cu embedded in plastics are utilized as scintillators in recoil proton detectors for fast neutron imaging. However, these scintillation plates exhibit significant light scattering due to the plastic-phosphor interface along with long-lived afterglow (on the order of minutes), and therefore alternative solutions are needed to increase the availability of this technique. Here, we utilize colloidal nanocrystals (NCs) in hydrogen-dense solvents for fast neutron imaging through the detection of recoil protons generated by neutron scattering, demonstrating the efficacy of nanomaterials as scintillators in this detection scheme. The light yield, spatial resolution, and neutron-vs-gamma sensitivity of several chalcogenide (CdSe and CuInS2)-based and perovskite halide-based NCs are determined, with only a short-lived afterglow (below the order of seconds) observed for all of these NCs. FAPbBr(3) NCs exhibit the brightest total light output at 19.3% of the commercial ZnS:Cu(PP) standard, while CsPbBrCl2:Mn NCs offer the best spatial resolution at similar to 2.6 mm. Colloidal NCs showed significantly lower gamma sensitivity than ZnS:Cu; for example, 79% of the FAPbBr(3) light yield results from neutron-induced radioluminescence and hence the neutron-specific light yield of FAPbBr(3) is 30.4% of that of ZnS:Cu(PP). Concentration and thickness-dependent measurements highlight the importance of increasing concentrations and reducing self-absorption, yielding design principles to optimize and foster an era of NC-based scintillators for fast neutron imaging.
Citation - WoS: 24
Citation - Scopus: 24
Light-Induced Paramagnetism in Colloidal Ag⁺-doped Cdse Nanoplatelets
(Amer Chemical Soc, 2021) Najafi, Arman; Sharma, Manoj; Delikanli, Savas; Bhattacharya, Arinjoy; Murphy, Joseph R.; Pientka, James; Petrou, Athos
We describe a study of the magneto-optical properties of Ag+-doped CdSe colloidal nanoplatelets (NPLs) that were grown using a novel doping technique. In this work, we used magnetic circularly polarized luminescence and magnetic circular dichroism spectroscopy to study light-induced magnetism for the first time in 2D solution-processed structures doped with nominally nonmagnetic Ag+ impurities. The excitonic circular polarization (P-X) and the exciton Zeeman splitting (Delta E-Z) were recorded as a function of the magnetic field (B) and temperature (T). Both Delta E-Z and P-X have a Brillouin-function-like dependence on B and T, verifying the presence of paramagnetism in Ag+-doped CdSe NPLs. The observed light-induced magnetism is attributed to the transformation of nonmagnetic Ag+ ions into Ag2+, which have a nonzero magnetic moment. This work points to the possibility of incorporating these nanoplatelets into spintronic devices, in which light can be used to control the spin injection.
Citation - WoS: 7
Citation - Scopus: 7
Multifunctional Oxygen-Generating Nanoflowers for Enhanced Tumor Therapy
(Amer Chemical Soc, 2023) Sun, Wanru; Xiao, Huifang; Zhu, Jiazhi; Hao, Zhaokun; Sun, Jian; Wang, Deqiang; Wang, Ranran
Sonodynamic therapy (SDT) and chemotherapy have received great attention as effective methods for tumor treatment. However, the inherent hypoxia of the tumor greatly hinders its therapeutic efficacy. In this work, a tumor microenvironment-responsive biodegradable nanoplatform SiO2-MnO2-PEG-Ce6&DOX (designated as SMPC&D) is fabricated by encapsulating manganese oxide (MnO2) into silica nanoparticles and anchoring poly(ethylene glycol) (PEG) onto the surface for tumor hypoxia relief and delivery, then loaded with sonosensitizer Chlorin e6 (Ce6) and chemotherapeutic drug doxorubicin (DOX) for hypoxic tumor treatment. We evaluated the physicochemical properties of SMPC&D nanoparticles and the tumor therapeutic effects of chemotherapy and SDT under ultrasound stimulation in vitro and in vivo. After endocytosis by tumor cells, highly expressed glutathione (GSH) triggers biodegradation of the nanoplatform and MnO2 catalyzes hydrogen peroxide (H2O2) to generate oxygen (O-2), thereby alleviating tumor hypoxia. Depleting GSH and self-supplying O-2 effectively improve the SDT efficiency both in vitro and in vivo. Ultrasonic stimulation promoted the release and cellular uptake of chemotherapy drugs. In addition, the relieved hypoxia reduced the efflux of chemotherapy drugs by downregulating the expression of the P-gp protein, which jointly improved the effect of chemotherapy. This study demonstrates that the degradable SMPC&D as a therapeutic agent can achieve efficient chemotherapy and SDT synergistic therapy for hypoxic tumors.
Citation - WoS: 85
Nanoceria-Supported Ruthenium(0) Nanoparticles: Highly Active and Stable Catalysts for Hydrogen Evolution From Water
(Amer Chemical Soc, 2018) Demir, Elif; Akbayrak, Serdar; Onal, Ahmet M.; Ozkar, Saim
Ruthenium(0) nanoparticles supported on nanoceria (Ru-0/CeO2) were prepared by reduction of Ru3+ ions on the surface of ceria using aqueous solution of NaBH4. The Ru-0/CeO2 samples were characterized by advanced analytical tools and employed as electrocatalysts on the glassy carbon electrode (GCE) in hydrogen evolution from water. The GCE, modified by Ru-0/CeO2 (1.86 wt % Ru), provides an incredible electrocatalytic activity with a high exchange current density of 0.67 mA.cm(-2), low overpotential of 47 mV at j = 10 mA.cm(-2), and small Tafel slope of 41 mV.dec(-1). Moreover, this modified GCE provides an unprecedented long-term stability without changing the onset potential (33 mV) even after 10 000 scans in acidic water splitting at room temperature. The hydrogen gas, evolved during the water splitting using the Ru-0/CeO2 (1.86 wt % Ru) electrocatalyst, was also collected. The amount of the evolved H-2 gas matches well with the calculated value, which indicates the achievement of nearly 100% Faradaic efficiency.
Citation - WoS: 79
Citation - Scopus: 85
New Approach for the Surface Enhanced Resonance Raman Scattering (serrs) Detection of Dopamine at Picomolar (pm) Levels in the Presence of Ascorbic Acid
(Amer Chemical Soc, 2012) Kayat, Murat; Volkan, Murvet
The development of a novel surface-enhanced resonance Raman scattering (SERRS) platform that allows fast and sensitive detection of dopamine (DA) has been reported. The iron-nitrilotriacetic acid attached silver nanoparticle (Ag-Fe(NTA)) substrate provides remarkable sensitivity and reliable repeatability. The advantages of both the surface functionalization for specific analytes and the SERRS are integrated into a single functional unit. While the silver core gives the necessary enhancing properties, the Fe-NTA receptors can trap DA adjacent the silver core and the NTA-Fe-DA complex formed provides resonance enhancement with a 632.8 nm laser. DA could be detected in pM level without any pretreatment with a reliable discrimination against AA, by utilizing low laser power (10 mW) and short data acquisition time (10 s). The high sensitivity along with the improved selectivity of this sensing approach is a significant step toward molecular diagnosis of Parkinson's disease.
Citation - WoS: 1
Citation - Scopus: 1
On the Smco Dimer: a Detailed Density Functional Theory Analysis
(Amer Chemical Soc, 2010) Oymak, Hueseyin; Erkoc, Sakir
Making use of 21 different exchange-correlation functionals, we performed density functional theory calculations, within the effective core potential level, to investigate some spectroscopic and electronic features of the SmCo dimer in its ground state. A particular emphasis was placed on the (spin) multiplicity of SmCo. Most of the functionals under discussion unanimously agreed that the multiplicity of SmCo should be 10. It was observed that the nature of interaction between Sm and Co atoms to form the SmCo dirtier can be described, to a good approximation, by a Lennard-Jones curve. For the multiplicity value 10, the binding energy D, was seen to be in the range 1.08-1.77 eV, while the equilibrium separation distance and the fundamental frequency were found to be r(e) = 2.975 +/- 0.035 angstrom and omega(e) = 120 +/- 10 cm(-1), respectively.
Citation - WoS: 14
Citation - Scopus: 8
Structural and Optical Properties of Interfacial Inse Thin Film
(Amer Chemical Soc, 2024) Emir, Cansu; Tataroglu, Adem; Coskun, Emre; Ocak, Sema Bilge
This study presents a comprehensive investigation of the optical and structural characteristics of the indium selenide (InSe) film prepared on a glass substrate. The structural characteristics of the InSe film were analyzed using characterization techniques including X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray spectroscopy while the UV-vis spectrophotometry method was used in the spectral range between 500 and 1000 nm to examine the optical characteristics. Thus, the UV-vis spectroscopic data were used to extract several optical parameters including extinction coefficient (k), optical band gap (E-g), refractive index (n), absorption coefficient (alpha), and optical conductivity (sigma(opt)). The optical transition of InSe was found as a direct transition. However, the optical analysis of this study has revealed that the InSe film has the potential to be used in various optoelectronic and photovoltaic applications.
Citation - WoS: 58
Two-Dimensional Fluorinated Boron Sheets: Mechanical, Electronic, and Thermal Properties
(Amer Chemical Soc, 2018) Pekoz, Rengin; Konuk, Mine; Kilic, M. Emin; Durgun, Engin
The synthesis of atomically thin boron sheets on a silver substrate opened a new area in the field of two-dimensional systems. Similar to hydrogenated and halogenated graphene, the uniform coating of borophene with fluorine atoms can lead to new derivatives of borophene with novel properties. In this respect, we explore the possible structures of fluorinated borophene for varying levels of coverage (BnF) by using first-principles methods. Following the structural optimizations, phonon spectrum analysis and ab initio molecular dynamics simulations are performed to reveal the stability of the obtained structures. Our results indicate that while fully fluorinated borophene (BF) cannot be obtained, stable configurations with lower coverage levels (B4F and B2F) can be attained. Unveiling the stable structures, we explore the mechanical, electronic, and thermal properties of (BnF). Fluorination significantly alters the mechanical properties of the system, and remarkable results, including direction-dependent variation of Young's modulus and a switch from a negative to positive Poisson's ratio, are obtained. However, the metallic character is preserved for low coverage levels, and metal to semiconductor transition is obtained for B2F. The heat capacity at a low temperature increases with an increasing F atom amount but converges to the same limiting value at high temperatures. The enhanced stability and unique properties of fluorinated borophene make it a promising material for various high-technology applications in reduced dimensions.

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