Efficient One-Pot Synthesis of Novel Caffeic Acid Derivatives as Potential Antimalarials by Katarzyna Sidoryk, Silvia Parapini, Nicoletta Basilico, Magdalena Zaremba-Czogalla, Marek Kubiszewski, Marcin Cybulski, Jerzy Gubernator, Agnieszka Zagórska, Anna Jaromin

“…The one-step approach meets the conditions of “atom economy” and eliminates hazardous materials. …”
Get full text

First-principles investigation of Ra doping effects on structural, electronic, and optical properties of BaTiO3 perovskite for solar cell applications by Sonia Chahar, Krishna Kumar Mishra, Rajnish Sharma

“…The orbital nature of Ba, Ra, Ti, and O atoms was analyzed through density of state and projected density of state analyses for pure BaTiO _3 , RaTiO _3 , and Ra-doped BaTiO _3 (x = 0.25, 0.50, 0.75). …”
Get full text

On Analytical Solution of a Plasma Flow over a Moving Plate under the Effect of an Applied Magnetic Field by Taha Zakaraia Abdel Wahid, Adel M. Morad

“…The effects of an external magnetic field on the electrons collected with each other, with positive ions, and with neutral atoms in the plasma fluid are studied. The BGK type of the Boltzmann kinetic equation is used to study the gas dynamics various regimes with Maxwellian velocity distribution functions. …”
Get full text

Relationship between network topology and negative electrode properties in Wadsley–Roth phase TiNb2O7 by Naoto Kitamura, Hikari Matsubara, Koji Kimura, Ippei Obayashi, Yohei Onodera, Ken Nakashima, Hidetoshi Morita, Motoki Shiga, Yasuhiro Harada, Chiaki Ishibashi, Yasushi Idemoto, Koichi Hayashi

“…To this end, we prepared TiNb2O7 samples with different charge/discharge properties and generated atomic configurations that simultaneously reproduce both total scattering and Bragg profile data. …”
Get full text

Elastic Properties and the Band Gap of AlNxP1-x Semiconductor Alloy: A Comparative Study of Various Ab Initio Approaches by M. P. Polak, M. J. Winiarski, K. Wittek, P. Scharoch

“…Both of these methods are applied to two different approaches of alloy simulation, a supercell of 16 and 32 atoms (for zinc-blende and wurtzite structures, resp.) and the alchemical mixing (AM) method, where the pseudopotentials are mixed in an appropriate way to form an alloy. …”
Get full text

Development of a Cloud-Point Extraction Method for Cobalt Determination in Natural Water Samples by Mohammad Reza Jamali, Mohammad Gholinezhad, Saiedeh Balarostaghi, Reyhaneh Rahnama, Seyed Hojjat Allah Rahimi

“…Dilution of the surfactant-rich phase with acidified ethanol was performed after phase separation, and the cobalt content was measured by flame atomic absorption spectrometry. The main factors affecting CPE procedure, such as pH, concentration of ligand, amount of Triton X-114, equilibrium temperature, and incubation time were investigated and optimized. …”
Get full text

Optical and Morphological Studies of Thermally Evaporated PTCDI-C8 Thin Films for Organic Solar Cell Applications by Ronak Rahimi, V. Narang, D. Korakakis

“…X-ray reflectivity (XRR) and atomic force microscopy (AFM) were employed to determine the morphology and structure as well as the thickness and roughness of the PTCDI-C8 thin films. …”
Get full text

Half-Metallic Ferromagnetism in Chalcopyrite (AlGaMn)P2 Alloys by Byung-Sub Kang, Kwang-Pyo Chae, Haeng-Ki Lee

“…The states of host Al, Ga, or P atoms at the Fermi level are mainly a P-3p character, which mediates a strong interaction between the Mn-3d and P-3p states.…”
Get full text

Modification of surface layers by high energy treatment by M. N. Vereschagin, S. N. Tselueva, M. Yu. Tseluev

“…The nature of heating, which is determined by the rate of change of temperature, temperature gradients, the time to reach the temperatures of structural and phase transitions, is different depending on the properties of the material being processed and the processing conditions.When modifying the surface layers by high-energy processing by changing the power and time of exposure to laser radiation, you can get a wide range of structural states of the treated surface areas of the material.It is shown that the shape of TVP diagrams and cooling curves of precision alloys on the surface of a two-layer metal system after heating them with laser radiation are determined by the competition of two processes acting in opposite directions: an increase in the driving force of the crystallization process with an increase in supercooling and a decrease in the surface of atoms.The method of surface modification by moving laser radiation allows to obtain amorphous functional layers of precision alloys on the surface of metal products.…”
Get full text

Microwave-Assisted Synthesis of Chitosan/Polyvinyl Alcohol Silver Nanoparticles Gel for Wound Dressing Applications by Nguyen Thi Hiep, Huynh Chan Khon, Vo Van Thanh Niem, Vo Van Toi, Tran Ngoc Quyen, Nguyen Dai Hai, Mai Ngoc Tuan Anh

“…The release of silver ions was determined by atomic absorption spectrometry. The antimicrobial properties of CPA gels against P. aeruginosa and S. aureus were investigated using agar diffusion method. …”
Get full text

Detailed Molecular Dynamics of the Photochromic Reaction of Spiropyran: A Semiclassical Dynamics Study by Gaohong Zhai, Shuai Shao, Shaomei Wu, Yibo Lei, Yusheng Dou

“…The main simulation results show that one pathway involves hydrogen out-of-plane (HOOP) torsion of phenyl ring nearby N atom in 254 fs on the excited state and the isomerization from cis- to trans-SP that is complete in about 10 ps on the ground state after the electron transition πσ*; the other dominate pathway corresponds to the ring-opening reaction of trans-SP to form the most stable merocyanine (MC) product. …”
Get full text

Investigation of chitin grafting: thermal, antioxidant and antitumor properties by Nevin Çankaya, Mehmet Mürşit Temüz, Burak Can

“…Then, graft copolymers of methacrylamide (MAM), diacetone acrylamide (DAAM), N-(4-nitrophenyl)acrylamide (NPA), and 2-hydroxyethyl methacrylate (HEMA) monomers were synthesized by atom transfer radical polymerization (ATRP). All of the polymers were characterized by FTIR spectra and elemental analysis. …”
Get full text

Spray Drying of Honey: The Effect of Drying Agents on Powder Properties by Samborska Katarzyna, Gajek Paulina, Kamińska-Dwórznicka Anna

“…Spray drying of multifloral honey with the addition of maltodextrin and gum Arabic was carried out at inlet air temperature of 180°C, feed rate of 1 mL/s and rotational speed of a disc atomizer of 39,000 rpm. The properties of obtained powders were quantified in terms of moisture content, bulk density, Hausner ratio, apparent density, hygroscopicity and wettability. …”
Get full text

The importance of the general system theory for the modern world by Šijan Aleksandar, Karabašević Darjan, Rajčević Dušan

“…The paper explains how diffusion and fragmentation across scientific disciplines created needs within the science that further motivated action to create metatheory that would resolve this fragmentation and atomization through a unique - umbrella approach. The paper then gives an insight into the context of development of General Systems Theory, after which its basic premise and characteristics are presented. …”
Get full text

Studying the Properties of RF-Sputtered Nanocrystalline Tin-Doped Indium Oxide by Abd El-Hady B. Kashyout, Marwa Fathy, Moataz B. Soliman

“…The structure, morphology, optical and electrical properties of the thin films are investigated using X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), atomic force microscope (AFM), UV-Vis spectrophotometer, and four-point probe measurement. …”
Get full text

Structures, Morphological Control, and Antibacterial Performance of Ag/TiO2 Micro-Nanocomposite Materials by Muhammad Akhsin Muflikhun, Alvin Y. Chua, Gil N. C. Santos

“…The materials were characterized by using scanning electron microscopy (SEM), energy dispersive X-ray (EDX) spectroscopy, and atomic force microscope (AFM). The result indicated that the HVPG technique is able to synthesize Ag/TiO2 with many shapes in micro- and nanoscale such as nanoparticles, nanorods, triangular nanomaterials, and nanotubes. …”
Get full text

Isoflavones and Isoflavone Glycosides: Structural-Electronic Properties and Antioxidant Relations—A Case of DFT Study by Son Ninh The, Thanh Do Minh, Trang Nguyen Van

“…Antioxidant activities are mostly driven by O-H bond dissociation enthalpy (BDE) following hydrogen atom transfer (HAT) mechanism. Antioxidant ability can be arranged in the following order: compounds (4) > (3) > (2) > (1). …”
Get full text

A roadmap from the bond strength to the grain-boundary energies and macro strength of metals by Xin Li, Hao Wu, Wang Gao, Qing Jiang

“…Motivated by the role of grain boundaries in the strength of metals, we introduce a predictive model to determine the grain-boundary energies and strength of metals from the cohesive energy and atomic radius. This scheme originates from the d-band characteristics and broken-bond spirit of tight-binding models, and demonstrates that the repulsive/attractive effects play different roles in the variation of bond strength for different metals. …”
Get full text

Synthesis Characterization and Biological Activities of Coordination Compounds of 4-Hydroxy-3-nitro-2H-chromen-2-one and Its Aminoethanoic Acid and Pyrrolidine-2-carboxylic Acid Mi... by Temitayo Aiyelabola, Ezekiel Akinkunmi, Efere Obuotor, Idowu Olawuni, David Isabirye, Johan Jordaan

“…Similarly it was proposed that the amino acids also coordinated in a bidentate fashion via their amino nitrogen and carboxylate oxygen atoms. The synthesized compounds were screened for their antimicrobial and cytotoxic activities. …”
Get full text

Determination and Analysis of Trace Elements in Five Kinds of Traditional Chinese Medicine in High Blood Pressure Medicinal Food by ICP-AES by Li Yang, Qinghua Yan, Huixuan Zhang, Jianwei Zhang

“…The samples were digested using a microwave digestion instrument through NHO3-H2O2 solution, and then, the elements were synthesized by inductively coupled plasma atomic emission spectrometry (ICP-AES). Results. The content of cobalt, manganese, zinc, copper, and nickel in the high blood pressure diet foods is higher, the RSD is between 0.005% and 4.82%, and the recovery rate ranges from 93.40% to 106.5%. …”
Get full text