This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study.

Aim: To evaluate the cytotoxic activity of newly synthesized a series of novel HDAC inhibitors comprising sulfonamide as zinc binding group and Isatin derivatives as cap group joined by mono amide linker as required to act as HDAC inhibitors. Materials and Methods: The utilization of sulfonamide as zinc binding group joined by N-alkylation reaction with ethyl-bromo hexanoate as linker group that joined by amide reaction with Isatin derivatives as cap groups which known to possess antitumor activity in the designed of new histone deacetylase inhibitors and using the docking and MTT assay to evaluate the compounds. Results: Four compounds have been synthesized and characterized successfully by ART-FTIR, NMR and ESI-Ms. the compounds w

A new Schiff base [1-((2-(1H-indol-3-yl)ethylimino)methyl)naphthalene-2-ol] (HL) has been synthesized by condensing (2-hydroxy-1-naphthaldehyde) with (2-(1H-indol-3-yl)ethylamine). In turn, its transition metal complexes were prepared having the general formula; [Pt(IV)Cl2(L)2], [Re(V)Cl2(L)2]Cl and [Pd(L)2], 2K[M(II)Cl2(L)2] where M(II) = Co, Ni, Cu] are reported. Ligand as well as metal complexes are characterized by spectroscopic techniques such as FT-IR, UV-visible, 13C & 1H NMR, mass, elemental analysis. The results suggested that the ligand behaves like a bidentate ligand for all the synthesized complexes. On the other hand, theoretical studies of the ligand as well its metal complexes were conducted at gas phase using Hyp

Poly-ether-ether-ketone (PEEK) was introduced in dentistry as an alternative to metal alloys.

The genus Serrasentis is one of important acanthocephalan parasites, parasitizing fish, birds and other vertebrates. Twenty two out of 500 fish specimens (4.4%) were found to be naturally infected with adult and cyst of worms of Serrasentis sp. which were collected from the stomach and intestine of Synaptura orientalis; Johnius belangrii, Otolithus ruber and Upeneus sulphureus fish species', from locations of Khor Abdullah, Arabian Gulf, Iraqi marine waters (29°58,33, N48°28, 20E) during the year 2017.The light and SEM study revealed that the adult worm have elongated and cylindrical body, anterior extremity with hooks forming combs arranged on the ven

Liquefied petroleum gas (LPG), Natural gas (NG) and hydrogen were all used to operate spark ignition internal combustion engine Ricardo E6. A comparison of CO emissions emitted from each case, with emissions emitted from engine fueled with gasoline as a fuel is conducted.

The study was accomplished when engine operated at HUCR for gasoline n(8:1), was compared with its operation at HUCR for each fuel. Compression ratio, equivalence ratio and spark timing were studied at constant speed 1500 rpm.

CO concentrations were little at lean ratios; it appeared to be effected a little with equivalence ratio in this side, at rich side its values became higher, and it appeared to be effected by equivalence ratio highly, the results s

Two hundred and ten specimens include urine, blood and ear swab were collected from different hospitals in Baghdad city; 85 (40%) isolates were diagnosed as Proteus spp. with (82%), (11.7%) and (5.8%) represented in urine, blood and ear swab specimens respectively. PCR technique was shown 30 (35.3%) isolates were positive for specific Urease C gene that used in rapid detection of Proteus vulgaris. The ability for chondritinase production was checked invetro and invevo, 24 (80%) isolates of P. vulgaris were showed ablity to chondritinase production and the isolate (p17) has higher enzyme activity value to (175.2U/ml). The Chondroitinase was purified by three short steps only included precipitate with 60% saturated of ammonium sulfate, dia