Group P2 Research Articles

Crystal packing of a zinc(II)-azide complex with a N,N,S-tridentate thiosemicarbazone ligand: An experimental and computational study

The aim of this study was to provide a crystallographic and electronic analysis of a zinc(II)-azide complex with a N,N,S-tridentate thiosemicarbazone ligand. The characterization was performed by single-crystal X-ray diffraction, elemental analysis and FT-IR spectroscopy. This compound showed a distorted square-planar structure and its crystal structure was in the triclinic space group P1¯ with Z = 2. Based on the Hirshfeld surface analysis, the van der Waals forces, N⋅⋅⋅H hydrogen bonds and C–H⋅⋅⋅π are the main intermolecular interactions that stabilize the crystal packing assembly. In addition, the Density Functional Theory (DFT) was used to predict the electronic properties. DFT calculations estimated interaction energy of −12.6 kcal mol−1 required to form the dimer structure. Nevertheless, based on a Natural Bond Orbital (NBO) analysis, two hydrogen bonds between nitrogen atoms of the azide group and the hydrogen atom of the amine one (N–H⋅⋅⋅N) are the main interactions responsible for the stabilization of the dimer structure studied. In addition, we were also able to characterize other important intermolecular interactions as the Sulfur⋅⋅⋅Sulfur and the C–H⋅⋅⋅N formed between the azide groups and the aromatic rings performed with the Quantum Theory of Atoms in Molecules (QTAIM).

Physical Quality of Longissimus Muscles of Kacang Goat After Supplemented With a Combination of Palm Kernel Meal and Powdered Katuk Leaf

The purpose of this research was to analyzed the effect of supplementation with palm kernel meal (BIS), katuk leaf powder (KAT), and both of those combined to the physical quality of Longissimus dorsi (L. dorsi) muscle in Kacang goat. Twenty male Kacang goat were used in this research; which were aged of ±1.5 years and weight of 15,42 ± 1.28 kg live body weight (BW). Complete randomized design was used in this research; with 4 treatments and 5 replications. All goats were acclimatized for 2 weeks. Group P0 as control was given distilled water. Group P1 was given BIS at dose of 100 gr/day/head. Then, Group P2 was administered BIS at dose of 100gr/day/head combined with powdered katuk leaf at dose of 15 gr/day/head, and Group P3 was given KAT 15gr/day/head, each goat was received treatments twice per day (at morning and afternoon) for 35 consecutive days. All animals were fed with leaves and grasses, and had access to water ad libitum. At the 25th and 50th day after treatment, goats from each group were slaughtered according to standard commercial halal guidelines. Meat samples derived from L. dorsi muscles were taken and to be tested for physical quality of pH, shear force, water holding capacity, cooking loss, meat and fat color. Data were analyzed by using analysis of variance. The administration of KAT tended to lower (P > 0,05) the shear force value of the L. dorsi muscle as compared to control group. In conclusion, the administration of powdered katuk leaves is appropriate to improve the physical quality of L. dorsi muscles in local Kacang Goat.

Antidepressant activity of basil leaves essential oil (Ocimum basilicum) in male balb/c mice

Depression is the most common mental disorder nowadays. It was triggered many searches to find out traditional plants that has antidepressant activity, one of which is sweet basil. Sweet basil oil that consist of eugenol inspected by in vivo using depression-induced male Balb/c mice and compared its antidepressant activity with fluoxetine HCl. This study was to compare antidepressant activity of sweet basil oil (Ocimum basilicum) and fluoxetine HCl evaluated from immobility time and serotonin level in plasma. An experimental study, in vivo, has been done in animal house and biomolecular laboratory medical faculty of Sriwijaya university during May until July 2015. Samples of 32 male Balb/c mice that divided into 4 groups was adapted for 10 days. Tail suspension test was done for 14 days, then mice blood was taken for checking depression serotonin level. In day 15th until 28th, mice given with sweet basil oil with gradually dose (P1, P2, and P3) and fluoxetine HCl (P4). Tail suspension test was done once and mice blood was taken for checking after therapy serotonin level. Data analyzed with SPSS 16. All male mice are similar in body weight, immobility time at tail suspension test I, and depression serotonin level. By tail suspension test, there is significant difference before and after therapy in group P1, P2, and P3 (p <0,001), group P4 (p = 0,001). There is no dose suitability between sweet basil oil and fluoxetine HCl based on tail suspension test (p < 0,001). Serotonin level in plasma before and after therapy shows significant difference in all groups (p < 0,001). There is no dose suitability between sweet basil oil and fluoxetine HCl based on serotonin level in plasma (p < 0,001). Antidepressant activity of sweet basil oil and fluoxetine HCl is not similar based on immobility time and serotonin level in plasma.

Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material (C10H15N2)2H2P2O7

This present work undertakes the study of a novel organic–inorganic hybrid material, which has been obtained successfully by an acid-base reaction at room temperature and structurally studied by the single crystal X-ray diffraction method. (C10H15N2)2H2P2O7 crystallizes in the triclinic system with the non-centrosymmetric space group P1 with the following lattice parameters: a = 5.9159(2) Å, b = 13.8451(6) Å, c = 14.5973(5) Å, α = 74.507(2)°, β = 89.980(2)°, γ = 89.231(2)° with V = 1152.06(8) Å3 and Z = 2. The X-ray structural analysis supported by a detailed Hirshfeld 2D fingerprint plots has been performed to elucidate the different inter-contacts in the crystal structure mainly associated with N–H⋯O, O–H⋯O and C–H⋯O between the different entities. An infrared spectrum was registered to reveal the vibrational modes of the title compound. The optical measurements have been carried out at room temperature. Theoretical calculations, which are quantum chemical techniques, based in density functional theory (DFT) method in the ground state will be devoted to study the vibrational frequencies and structural parameters of the investigated molecule by using DFT/B3LYP/6-311G(d,p) basis set. The calculated geometric parameters and vibrational frequencies are in good line with their experimental data.

Studi Toksisitas Organofosfat (Diazinon) Terhadap Gambaran Histopatologi Hepar dan Kadar Malondialdehyde (MDA) dalam Serum Tikus (Rattus norvegicus)

Diazinon is an insecticide that has a higher toxicity than other insecticides. Normally, insecticides are detoxified by liver, but this process produced free radicals which causes cell damage. Free radicals also increase lipid peroxidation which directly increase malondialdehyde levels. This research was aimed to determine the influence of diazinon toxicity to the liver histopathology and levels of malondialdehyde (MDA) in the serum of rats (Rattus norvegicus). The rats were divided into 4 groups which consist of negative control group and three experimental groups which were given diazinon 20 mg/kgBW (P1), 40 mg/ kgBW (P2), and 60 mg/ kgBW (P3). The rats were given diazinon for 8 weeks orally. The parameters used in this research was liver histopathology with hematoxilin eosin stain and Malondialdehyde levels with Thiobarbituric test. Liver histopathology was analyzed in descriptive qualitative and the level of MDA was analyzed quantitatively using ANOVA and Tukey's exact test with α = 0.05. The result of this research showed the influence of organophosphate (diazinon) on liver histolopathology was shown by inflammatory cells infiltration in hepatic parenchyma, sinusoidal congestion, and cytoplasmic vacuolation of the hepatocytes. Statistical analysis proved that the diazinon was able to increase the level of MDA serum significantly (p&lt;0,05) up to 71% in experimental group P1 (dose 20 mg/kgBW), which the increase level of MDA serum depend on dose of diazinon. This research concluded that diazinon is one of the organophosphate pesticide that toxic based on liver histopathology and MDA serum levels.

Studi Komputasi Sifat Elektronik dan Sifat Optik Fotoelektroda Titanium Dioksida (TiO2) pada Fasa Anatase dan Rutile

This research focuses on photoelectric Titanium Dioxide (TiO2) as a tool for Sensitive Solar Cell Dyes (DSSC). Anatase and rutile phase. some of the things studied were: crystal structure, band structure, structural structure, photoelectric optical properties of TiO2. The method used in this study is a calculation using the DFT theory and quantum expresso software. The TiO2 cell unit has the optimal shape for the pure antase TiO2 model which has a parameter a = b 3.785 units, c = 9.514 units, α = β = γ = 90O. The average T-O bond length is 1,966 barrels. This phase has a triclinic lattice type with group space P1 (1) which has a volume unit of 136.2991 A3. The Rutile phase has a parameter a = b = 4.5593 with c = 2,958 stars with α = β = γ = 90O. The average T-O bond length is 2.77 barrels. This phase has a Triclinic lattice type with a space group P1 (1) with a volume unit of 52.44233 A3. The anatase phase of TiO2 has indirect characteristics, namely M and Г. coordinate. Based on the calculation of the large bandgap obtained at 3.2 eV. This is in accordance with the data experiment. The energy of the band tape must be greater than the minimum energy needed for the redox reaction in the dye. While the characteristics of the ribbon emphasize the value of the absorption coefficient in light and the rate of electron recombination. Materials with direct band gab have high combination coefficients but with high combination levels. This greatly influences the DSSC efficiency value. TIO2 Rutile phase has a direct property of 3.5 eV for potential Hubbard energy U + 7. This value is closed to the experiment result.

Syntheses and Crystal Structures of Two Cadmium Methanetetrabenzoates Featured by Open Framework and Infinite Layers

Colorless single crystals of Cd2[μ8‐MTB]·3H2O·DMF (1) were prepared in DMF/H2O solution [1: space group C2/c (no. 15) with a = 1821.30(6), b = 2175.08(6), c = 1269.87(4) pm, β = 129.684(1)°]. The connection between the methane‐p‐benzoate tetraanions (MTB4–) and the Cd2+ cations leads to a three‐dimensional framework with channels extending along [110] and [110] with openings of 670 pm × 360 pm. The channel‐like voids accommodate water molecules and N,N‐dimethylformamide (DMF) molecules not bound to Cd2+. Colorless single crystals of [Cd4(2,2′‐bipy)4(μ7‐MTB)2]·7DMF (2) were prepared in DMF in the presence of 2,2′‐bipyridine [2: space group P1 (no. 2) with a = 1224.84(4), b = 1418.85(5), c = 2033.49(4) pm, α = 85.831(2)°, β = 88.351(2)°, γ = 68.261(1)°]. The coordination of MTB4– to Cd2+ results in infinite layers parallel to (001). The layers, not connected by any hydrogen bonds, contain small openings of about 320 pm × 340 pm.

Thermal expansion of energetic material TEX obtained from x-ray diffraction and first principles calculations

X-ray powder diffraction studies on the secondary explosive TEX (C6H6N4O8) in the temperature range 25–150 °C are reported. TEX has a triclinic structure (a = 6.850 Å, b = 7.665 Å, c = 8.826 Å, α = 82.38°, β = 75.0°, and γ = 79.30° at 25 °C), space group P1¯. The crystal structure remains triclinic in this temperature range. From the temperature dependence of lattice parameters we find that thermal expansion is different along different directions. The volume thermal expansion coefficient 17.4 × 10−5 K-1 is comparable to that of a related material, CL-20. Thermal expansion along the c-direction αc is 2.2 times αa and 3 times αb. Phonon frequencies of TEX crystal at different pressures are obtained from density functional theory (DFT) calculations using CASTEP codes. The volume thermal expansion coefficient calculated using Gruneisen formalism is 6.1 × 10−5 K-1. This is the first report on the experimental determination of thermal expansion of TEX, and computation by Gruneisen formalism using DFT.

Studies on a novel organic NLO single crystal: L-asparaginium oxalate

A new organic nonlinear optical (NLO) material, L-asparaginium Oxalate (ASOX) was synthesized and single crystals of ASOX with dimension (10*5*5) mm3 was grown from aqueous solution by slow evaporation solution growth technique. Single crystal XRD data reveals that ASOX belongs to triclinic crystallographic system with non-centrosymmetric space group P1. The grown organic NLO crystal was subjected to various characterizations like PXRD, FT-IR analysis, thermal studies, micro hardness test and optical studies for identifying the transparency range and the emission spectrum. The laser damage threshold value was found to be 2.04 GW/cm2. The second harmonic efficiency of the grown crystal was examined using Kurtz Perry powder technique and it was found to be 68% that of KDP. Hence it can be effectively employed for various optoelectronic and photonic applications.

Hexanuclear manganese(III) single-molecule magnets based on oxime and azole-type ligands

Two novel hexanuclear manganese(III) complexes belonging to the Mn6 family of single-molecule magnets (SMMs), of formulae [Mn6(μ3-O)2(H2N-sao)6(bta)2(EtOH)6]·2EtOH·4H2O (1) and [Mn6(μ3-O)2(H2N-sao)6(pta)2(EtOH)6]·4EtOH (2) [H2N-saoH2 = salicylamidoxime, bta = 1,2,3-benzotriazolate anion, pta = 5-phenyl-tetrazolate anion], have been synthesized and characterized structurally and magnetically. Both compounds crystallize in the triclinic system with space group P1¯ (1 and 2). In their crystal packing, adjacent Mn6 complexes are connected through non-coordinating solvent molecules, which are H-bonded to N atoms of azole rings and –NH2 groups of salicylamidoxime ligand. The study of the magnetic properties of 1 and 2 through magnetic susceptibility measurements reveals as predominant interaction an antiferromagnetic coupling between the MnIII metal ions in both compounds. A ground state spin value of S = 4 for 1 and 2 was confirmed through variable temperature-variable field dc magnetization data, and the occurrence of slow relaxation of the magnetization in both 1 and 2 indicates single-molecule magnet behavior.

Fluorescent cyclic phosphoramide mustards and their cytotoxicity against cancer and cancer stem cells

Two fluorescent cyclic phosphoramides, 1,3-dihydronaphtho[1,8-cd][1,2,6]phosphdiazine-2-oxide-(2-bis(2-chloroethyl)amide) (1) and 2,3-dihydro-2-oxo-1H-anthra[1,2-d][1,3,2]diazaphosphole-6,11-dione-2[N,N-bis(2-chloroethyl)]amide (2) were synthesized and characterized using standard analytical techniques. The single crystal X-ray diffraction studies of 1 showed that it crystallizes in triclinic space group P1¯. The comparison of the bond distances and angles data of the single crystal structure of 1 with the theoretical value obtained from DFT calculations show that they are well commensurate with each other. 1H and 31P NMR studies reveal that 1 is more stable than 2 towards hydrolysis and formation of the active phosphoramide. 1 showed no dissociation in 48 h but 25% dissociation of 2 was observed using DMSO-phosphate buffer pH 7.4 (8:2 v/v). Compound 1 and 2 exhibit blue (λem = 375 nm) and orange fluorescence (λem = 585 nm) respectively. However, the ligand of 2 daq exhibits red fluorescence (λem = 635 nm) in its free form. 1 and 2 showed cytotoxicity to cancer cells (MCF-7, A549, HepG2 and HeLaWT) and the toxicity enhanced in vitro, in presence of the cellular reducing agent ascorbic acid. The fluorescent imaging study of 2 showed that the intact compound enters organelles like mitochondria within 1 h of treatment. The compound localizes in other organelles too and upon 10 h incubation red emissions from endoplasmic reticulum, mitochondria and lysozome suggests that the ligand daq dissociated from 2. Compound 2 depolarises the mitochondria. Both 1 and 2 are efficient in killing the slow growing cancer stem cells (CSCs), known to cause cancer relapse. 1 and 2 also exhibit excellent anti cell migratory activity at IC10 dosage even after 48 h of removal of the compounds and causes cell death by apoptosis.

Long-term visual deprivation inhibit the visual lobe neocortex cytoarchitecture increment in 42 days male rats (Rattus norvegicus): a stereological study

Background: The inhibition of nerve impulse transmission between the onset of the nervus opticus pathway and the terminal of radiatio opticus can reduce cortical reflex so that visual deprivation appears. Visual deprivation at the level of the neocortex can change the structure itself if it occurs over a critical period of neuron development in the neocortex layer in infants. Strategies to measure the quality and quantity of neocortex cytoarchitecture of visual lobe require unbiased stereological methods.Aim: This study aimed at proving long-term visual deprivation can reduce the visual lobe neocortex cytoarchitecture.Methods: This research was an experimental study with post test only control group design from 2018 till 2019. The sample was 30 male 42-day-old rats (Rattus norvegicus) about 60-80 g in weight regarding the inclusion criteria. This study involved six random groups divided into control groups, monocular deprivation, and binocular deprivation where each group was further divided into groups that experienced treatment for 7 and 14 days.Results: There was a difference in mean volume of visual lobe neocortex between groups P1 and P2 compared to P0 (7) or P0 (14) (p &lt;0.05). The P1 group (14) had a lower average than the P1 group (7) (p &lt;0.05); (2) There was a difference in the mean of pyramidal visual lobe neocortex cell density between groups P1 and P2 against group P0 (7) or P0 (14) (p &lt;0.05). There was no significant difference in the 14-days deprivation group against 7-days, both monocular and binocular; (3) there was a difference in the total number of visual lobe neocortex pyramidal cells between groups P1 and P2 compared to groups P0 (7) or P0 (14) (p &lt;0.05). Group P1 (14) has a lower average cell number than group P1 (7); (4) The group P0 (14) has the highest neocortex volume, density, and pyramidal cells total number compared to groups P0 (7), P1, and P2. The CE value is 0.2, which is the optimal estimated strength used.Conclusion: Visual deprivation for more than seven days has been shown to reduce mean difference neocortex volume, cell density, and the pyramidal cells number of visual lobe neocortex against either 7 days or 14 days group.

Potential Test Development of Dengue Hemorrhagic Fever Medicine from Jatropha Multifida Stem Bark as Organic Chemistry Teaching Material

Jatropha multifida L. is one of the medicinal plants that Bengkulunese use as a new wound medicine inherited by the ancestors. The purpose of this research is to test J. multifida as a medicine of DHF through preclinical trials in mice. Furthermore, this laboratory research was developed as a teaching material, with the ADDIE model. The research started with phytochemical test of bark extract. 40 mice were divided into eight groups; each of which consisted of 5 mice. The group of P0 mice were given olive oil using gavage, group P1 was given aspirin orally, group P2, P3 and P4 mice were given crude extract of J. multifida with consecutive dosage of 0.028 g / kgbw; 0.056 g / kgbw and 0.084g / kgbw. The groups P5, P6 and P7 were given ethyl acetate extract at the dosage of 0.028 g / kgbw; 0.056 g / kgbw and 0.084g / kgbw. The steps of the study were started from the phytochemical test. The treatment of each group of mice and the results of treatment after analysis, design, development, implementation, evaluation were then developed as teaching materials. Crude and ethyl acetate extracted from J. multifida barks can increase the platelet count of mice suffering from thrombocytopenia. The administration of crude extracts and ethyl acetate extract from J. multifida stem barks at the dose of 0.028 g / kgbw; 0.056 g / kgbw and 0.84g / kgbw can increase the platelet count of mice with trombocytopenia. Particularly in the administration of crude J. multifida at a dose of 0.028 g / kgbw can increase the number of platelet up to normal in thrompbocytopenic mice. Based on that fact, crude extracts from J. multifida barks are highly potential to be used as a medicine to increase number of platelet in DHF patients. Teaching materials developed from this case, the test activity of crude extract and ethyl acetate extract from J. multifida stem bark to increase the number of platelets, provide new knowledge for the students and engage them in active learning proven by the response of the students that are in very good categories.

Banana peels extract (Musa Paradisiaca Var Kepok) Decreased MDA in New Zealand White Rabbit With DM Hyperlipidemia

The incidence of Diabetes Mellitus (DM) is increasing over the year. The drugs of DM cause side effects on an organ and heart. The pathological process of DM hyperlipidemia begins with oxidative stress. It is necessary to think about preventing hyperlipidemia in DM by using herbs as herbal medicines. This study aims to find out the effect of peel extracts of Musa Paradisiaca var. kepok to New Zealand White rabbits with hyperlipidemic in DM. The banana peel extract was obtained from the traditional market in Demak, Central Java. Banana peel extraction used maceration with ethanol extract. This study used 27 New Zealand White male rabbits, aged 4 months, with 1.5-2 kg average weights. The sample of the study was divided into three groups. Treatment group 1 (P1), Treatment group 2 (P2) and control group (K). All groups had standard feed and High Fructose Fat Diet (HFFD). Group P1 was given banana peel extract dose of 200 mg/kg body weight/day and group P2was given banana peel extract dose of 400 mg/kg body weight/day and group K was not given banana peel extract. This was an experimental laboratory research with the randomized pretest-posttest control design. The research data were taken three times; pretest, day 45 and day 104. This research was conducted for 104 days at UGM LPPT of unit 4 which has been internationally standardized. MDA levels were measured by the HPLC. The results of the pretest levels of MDA 0, 627, day 45 p = 0.232, day 104 p = 0.028. Ethanol extract of Musa Paradisiaca var. kapok prevents oxidative stress of New Zealand White rabbits with Diabetic Hyperlipidemia.

Synthesis, crystal structure, Hirshfeld surface analysis and dielectric properties of a new centrosymmetric hybrid compound (C4H12NO3)CdCl3·H2O

A new organic–inorganic hybrid centrosymmetric compound, (C4H12NO3)CdCl3·H2O, was synthesized by the slow evaporation method at room temperature and characterized by single X-ray diffraction (SCXRD). The results of the X-ray diffraction study demonstrated that this material crystallizes in the triclinic system with the space group P1¯ and the following unit cell parameters a = 6.822(6) Å, b = 8.96(2) Å, c = 10.034(3) Å, α = 72.901(3)°, β = 71.927(3)°, γ = 89.099(3)° and Z = 2. In the crystal structure, the atomic arrangement is described as an alternation of organic and inorganic layers along the a-axis. The anionic layers are formed by [CdCl5O]− octahedrons, while the cationic layers are made up of [C4H12NO3]+ cations. The crystal packing is governed by NH⋯Cl, NH⋯O, CH⋯Cl, OH⋯Cl and OH⋯O hydrogen bonds, forming a three dimensional supramolecular network. Hirshfeld surfaces and 2D fingerprint plots were determined for visualizing, exploring and quantifying the intermolecular interactions in the crystal lattice of the title compound. Infrared and Raman spectroscopy were reported at room temperature in the frequency domains 400–4000 cm−1 and 50–500 cm−1, respectively. Differential scanning calorimetry (DSC) revealed one exothermic peak located at around T1 = 368 K. Electrical and dielectric properties were investigated as a function of temperature (300–430 K) in the frequency range 40 Hz–110 MHz. The electrical and dielectric studies were performed by means of impedance spectroscopy and dielectric permittivity ε',ε''. Nyquist curves were well fitted to an equivalent circuit formed by parallel combination resistance and capacity fractal of the bulk. The frequency dependence of the alternative current (AC) conductivity was analyzed using the Jonscher law. Overlapping-large polaron tunneling (OLPT) and non-overlapping small polaron tunneling (NSPT) conduction mechanism models successfully explained the behavior of the exponent n.

Preparation and electrochemical characterization of Mo[formula omitted]O[formula omitted] nanopowders for supercapacitors applications

In this work, the role of different solvent in the synthesis of Mo9O26 nanoparticles was examined through hydrothermal method at optimized experimental conditions. The precursor solutions consists of sodium molybdate salts was dissolved respectively in deionized water, ethanol and mixture of ethanol and deionized water in a separate beaker and labeled as RSF1, RSF2 and RSF3. The obtained Mo9O26 nanoparticles were examined by employing fundamental studies such as X-ray diffraction (XRD), Raman Spectroscopy, Fourier Transform Spectroscopy (FTIR), and Photoluminescence (PL) analysis. The obtained XRD spectra revealed the formations of Mo9O26 nanoparticles employing the sharp diffraction peak appeared at 26.5º corresponding to the lattice planes of (−2 0 5) belongs to the space group P1¯(2). FESEM analysis discloses the different configuration of Mo9O26 nanoparticles such as truncated nanorods, fine agglomerated nanorods and half edge hexagonal structure for different solvents. Further, the electrochemical studies have been carried out employing cyclic voltammetry (CV) and galvanstatic charging–discharging studies. From CV studies, the active material as electrode (RSF1) delivers the high specific capacitance value of 672 Fg−1 at the low scan rate of 10 mV. The high specific capacitance of 623 Fg−1 at a current density 0.5 Ag−1 demonstrated by RSF1 is primarily due to the interconnected truncated nanorods which enhances the charge storage capacity by nearly 2 fold when compared to RSF2 and RSF3.

Synthesis, structural, frontier molecular orbitals, Hirshfeld analysis and luminescence properties of an organic 2-amino-4, 6-dimethoxypyrimidine 4-methylbenzenesulfonic acid monohydrate single crystal

The title material was grown by slow evaporation solution growth technique using methanol as solvent. Single crystal X-ray diffraction study revealed that the material belongs to triclinic crystal system with space group P1¯. Powder XRD measurements was explored to identify strain present in the grown crystal. The presence of functional groups was identified from FTIR spectral analysis. From the UV–vis-NIR spectral study, refractive index and extinction coefficient were determined. The theoretical band gap values found from density functional theory shows discrepancy with that of the experimental value. The close contact interactions are identified from Hirshfeld surface analysis. Moreover, solid-state parameters were evaluated for the grown crystal. The dielectric constant and dielectric loss of the crystal were measured as a function of frequency and temperature. The luminescent property of title crystal was investigated and the results are discussed.

Ammelinium Sulfate Monohydrate and Ammelinium Sulfate Cyanuric Acid – Synthesis and Structural Characterization

Two ionic carbon nitride type compounds containing the ammelinium cation, ammelinium sulfate cyanuric acid (6C3N5H6O+·3SO42–·1⅔C3N3H3O3·H2O) (1) and ammelinium sulfate monohydrate (2C3N5H6O+·SO42–·H2O) (2) were synthesized through hydrolysis of melam (C6N11H9) in diluted sulfuric acid. 1 crystallizes in hexagonal space group P63 (no. 173) with lattice parameters of a = 14.642(3), c = 13.113(4), and Z = 2. The structure is comprised of protonated ammelinium ions and neutral cyanuric acid molecules, which form a layered structure, as well as sulfate ions that span through these layers. 2 crystallizes in the triclinic space group P1 with lattice parameters of a = 7.404(3), b = 9.673(4), c = 10.040(4), α = 91.098(15), β = 109.884(10), γ = 92.567(13), and Z = 2. As for 1, the ammelinium rings form layers with the sulfate ions located in between. In both structures, no extended hydrogen bond networks between the respective triazine‐based molecules are formed. Instead, single molecules or small building blocks occur isolated and interact primarily with sulfate anions. Compound 1, which was obtained phase pure, was further investigated by FTIR spectroscopy, solid‐state NMR spectroscopy and powder X‐ray diffractometry.

A series of three isostructural 1D lanthanide coordination network based on 4,4′,4″-((benzene-1,3,5-triyltris(methylene))tris(oxy))tribenzoate ligand: Synthesis, crystal structure and photophysical properties

Three 1D-coordination networks namely {[Ln(L)(DMF)(H2O)]·DMF}n. represented as EuL, GdL and TbL were obtained using the synthetized 4,4′,4″-((benzene-1,3,5-triyltris(methylene))tris(oxy))tribenzoic acid (H3L) as a ligand and lanthanide nitrate salts (Ln(NO3)3) (Ln = EuIII, GdIII or TbIII). The reactions were carried out under solvothermal conditions using a mixture of DMF and H2O. Single crystal X-ray analyses revealed that all three compounds are isostructural crystalizing in the triclinic space group P1-. They show an interesting binodal connected one-dimensional structure, with a static crystal disorder due to the different spatial orientations of DMF molecules. The triplet state energy of the H3L ligand obtained from {[Gd(L)(DMF)(H2O)]·DMF}n lies energetically above the main emitting states of both EuIII and TbIII. The photophysical properties were investigated in terms of excitation, emission spectra and emission lifetime at three different temperatures. EuL and TbL exhibit characteristic emission bands of the EuIII and TbIII with emission lifetimes of 0.51 ms and 0.90 ms, respectively. The emission lifetime values of EuL and TbL remain practically constant in the temperature range from 77 to 300 K. Furthermore, it is mentioned a possible effect of a crystal disorder on the luminescence profile of EuIII in EuL.

Effect of Stichopus Hermanni to Bigonial Width on Maxillary Suture Expansion using Cephalometric Analysis

&lt;p&gt;&lt;strong&gt;&lt;em&gt;Background:&lt;/em&gt;&lt;/strong&gt;&lt;em&gt;Maxillary expansion uses mechanical forces to open the maxillary suture which causes inflammation and bone remodeling around the area. Stichopus hermanni is known to contain flavonoid, chondroitin sulfate, and saponin which is used to inhibit inflammatory process, increase bone metabolism and mineralization, and wound healing. &lt;strong&gt;Purpose:&lt;/strong&gt; The aim of this experiment is to know the effect of Stichopus hermanni to bigonial width on maxillary suture remodeling expansion using cephalometric analysis. &lt;/em&gt;&lt;strong&gt;&lt;em&gt;Materials and &lt;/em&gt;&lt;/strong&gt;&lt;strong&gt;&lt;em&gt;Methods: &lt;/em&gt;&lt;/strong&gt;&lt;em&gt;Experimental units used were 24 male Cavia cobaya divided into 4 groups (n=6). Group K(-) is negative control. Helical spring was applied and activated in the other 3 groups for 10 days. Group K(+) was given 2% NaCMC gel, both group P1 and P2 was given 3% Stichopus hermanni gel. Group P2 were also given retention period for 10 days after activation period. Cavia cobaya were then decapitated and observed for the bigonial width changes. The data was analyzed with One Way ANOVA test continued with LSD test. &lt;strong&gt;Result&lt;/strong&gt;&lt;/em&gt;&lt;strong&gt;&lt;em&gt;s&lt;/em&gt;&lt;/strong&gt;&lt;strong&gt;&lt;em&gt;:&lt;/em&gt;&lt;/strong&gt;&lt;em&gt; The result of ANOVA test showed siginficant differences among the treatment groups p=0,000 (p&amp;lt;0,05). LSD test showed significant differences between group K(-) and K(+) (Sig. 0,005), K(-) and P1 (Sig. 0,001), and group K(-) and P2 (Sig. 0,000). &lt;strong&gt;Conclusion: &lt;/strong&gt;3% Stichopus hermanni gel increases bigonial width but not significant in remodeling process on maxillary suture expansion.&lt;/em&gt;&lt;/p&gt;&lt;p&gt;&lt;em&gt; &lt;/em&gt;&lt;/p&gt;&lt;p&gt;&lt;strong&gt;&lt;em&gt;Keywords: &lt;/em&gt;&lt;/strong&gt;&lt;em&gt;Stichopus hermanni, bone remodeling, maxillary suture expansion, bigonial width, cephalometric analysis&lt;/em&gt;&lt;/p&gt;&lt;p&gt;&lt;strong&gt;&lt;em&gt; &lt;/em&gt;&lt;/strong&gt;&lt;/p&gt;&lt;p&gt;&lt;strong&gt;&lt;em&gt;Correspondence: &lt;/em&gt;&lt;/strong&gt;&lt;em&gt;Noengki Prameswari, Department of Orthodontics, Faculty of Dentistry, Hang Tuah University, Arif Rahman Hakim 150, Surabaya, Phone 031-5945864, 5912191, Email: &lt;/em&gt;&lt;a href="mailto:noengki.prameswari@hangtuah.ac.id"&gt;&lt;em&gt;noengki.prameswari@hangtuah.ac.id&lt;/em&gt;&lt;/a&gt;&lt;em&gt;&lt;/em&gt;&lt;/p&gt;