Compound Research Articles

The enzyme kinetic studies, DNA protection and antioxidant activities of furan/ thiophene-2-carboxamide derivatives

Three furan and/or thiophene-2-carboxamide compounds, namely N-(furan-2-ylmethyl)thiophene-2-carboxamide (1), N-(furan-2-carbonyl)furan-2-carboxamide (2), and N-(Thiophene-2-ylmethyl)furan-2-carboxamide (3) were investigated the enzyme kinetic studies by urease, acetylcholinesterase (AChE), and butyrylcholinesterase (BChE). The inhibition constant (Ki) of Compound (CPD)3 by AChE was determined as 0.10 mM, and the Ki value by BChE was determined as 0.07 mM. In comparison, the Ki value of CPD1 by urease was determined as 0.10 mM. These CPDs were examined for antioxidant activity by the DPPH˙ scavenging method. CPD3 exhibited 98.93% DPPH scavenging activity compared to ascorbic acid, the positive control group. Furthermore, the DNA-protective activities of the compounds were investigated, and the DNA protection activity of CPD1 was observed to be 78%. The findings suggest that thiophene/furan carboxy amide-containing CPD1 and CPD3 might be exploited as potential structures for evaluating pharmaceuticals with greater potency.

New Three-Dimensional Supramolecular Framework: Crystal Structure and Photocatalytic Property.

In this work, benzimidazole (Hbim) and Cu(II) ions ligands were chosen as building blocks to produce a novel Cu(II) compound (CP) based on {Cu4O}cluster, namely, [Cu4OCl6(Hbim)4]n·n(H2O)·2n(EtOH) (1). The investigation of SCXRD reveals that the CP 1 is a separated 0D structure based on tetrahedral {Cu4O} clusters. Furthermore, this supramolecular frame displayed superior photocatalytic effect on the photodegradation of MB under UV light irradiation.

Clinical and radiological characteristics of odontomas: A retrospective study of 90 cases.

Odontomas represent a common clinical entity among odontogenic tumors, but are not well-addressed in the Vietnamese population. The present study aimed to determine the clinical and preclinical characteristics of odontomas and associated factors in the Vietnamese population. This retrospective study retrieved data from histopathological diagnoses from 2 central hospitals of Odonto-Stomatology in Ho Chi Minh City, Vietnam during 2004-2017. The odontomas were classified as complex (CxOD) or compound (CpOD) subtypes. The epidemiological, clinical, and radiological characteristics of the odontomas, stratified by subtype and sex, were obtained and analyzed. Ninety cases, consisting of 46 CxODs and 44 CpODs, were included. The average age of patients was 32.4 (±20.2) years. The patients with CxOD were older than those with CpOD (P<0.05). Clinically, 67% of patients showed an intraoral bone expansion. Approximately 60% of patients with CxOD exhibited a painful symptom, about 3-fold more than those with CpOD (P<0.05), whereas almost all patients with CpOD exhibited perturbations of dentition, unlike those with CxOD (P<0.05). Radiologically, CxOD was characterized by a larger dimension than CpOD in both sexes (P<0.05), and CpOD induced complications in adjacent teeth more often than CxOD (P<0.05). The development of odontoma with advancing age differed significantly in odontoma subtypes related to their pathological origins, and between the sexes, resulting from different physiological states. The findings of this study highlight the value of clinical and radiological features of odontomas and their associated factors for the early diagnosis and adequate treatment of younger patients.

Clinical parameter of odontoma with special emphasis on treatment of impacted teeth-a retrospective multicentre study and literature review.

Odontoma-separated into complex (CxOD) and compound (CpOD) subtypes-represents the most frequent odontogenic malformation. Retention of permanent teeth is a common symptom. Therefore, in a series of odontomas, an analysis of the management of retained teeth was conducted. In a retrospective multicenter study of two University Medical Centers and one private praxis in Germany, demographic and clinical data regarding odontomas from 01/2000-03/2015 were obtained. In particular, the influence of operative therapy on the dentition and on the treatment of impacted teeth was analyzed. Forty-five patients with 15 CxOD and 30 CpOD were included. Initial symptoms were delayed eruption of permanent teeth (n=11), pain (n=4), and swellings (n=2); 28 cases were discovered by incidence, all of them via panoramic radiographs. The mandible/maxilla ratio was about 1:0.55 (29/16). Thirty-five out of 45 odontomas were in close proximity of at least one tooth (n=16 at molars). A total of 14 teeth were extracted (CxOD: n=5; CpOD: n=9). Extractions had to be conducted more often in older patients (mean age 39.8 vs. 25.6years). Of the non-extracted teeth, 8 teeth were displaced and retained. Of those, 4 teeth were aligned in the dental arch via orthodontic help and 2 teeth erupted spontaneously after operation during the follow-up period. In all cases, no relapse was seen. Odontomas can cause displacement as well as malformation and resorption of the adjacent teeth. Mostly, removal of odontomas is conducted. Extirpation of odontoma can allow for normal tooth eruption, often rendering extractions avoidable. Orthodontic alignment, though sometimes challenging, is a reasonable therapeutic option. These findings underline the value of the panoramic radiograph in preventive dentistry in younger patients.

Conteúdo de carboidratos em estacas de videira do porta-enxerto cv. IAC 572

This study aimed to study the variation in concentrations of carbohydrates before and after the formation of roots in cuttings and budding of grapevine rootstock ‘ IAC 572’ grown on different substrates (compost and commercial substrate Carolina ) or treated not indole butyiric acid (2000 mg L-1). The treatments were: T1 Carolina® commercial substrate (SCC); T2- organic compound (CO); T3 SCC + CO; T4 + IBA SCC 2000 mg L- 1; CO + IBA T5- to 2000 mg L-1 and T6- SCC + IBA + CO to 2000 mg L-1. We used an experimental design in a completely randomized design with 6 treatments x 4 replicates and each plot represented by 16 stakes. Upon production of cuttings samples of plant material were reserved for analysis of total and reducing sugars. Then the cuttings were standardized at 10 cm in length with two yolks and three inches from the base of the cuttings were immersed in a solution of IBA 2000 mg L- 1 for 15 seconds, the stakes of treatments 4, 5 and 6. They were later kept in a mist chamber for 54 days. After this period we evaluated the percentage of rooting (ER) and sprouting, number of leaves (NL), plant height (AP in cm), number of roots (NR), dry matter weight of root ( MMSR in g ), shoot ( shoot DMM g ) and stem ( MSC), the average length of the longest root ( CMR, in cm ) and the levels of total and reducing sugars in the root, stem and budding. The organic substrate associated with the treatment of cuttings with IBA promoted a significant increase in reserve substances from plants.

Phase Transformation Behavior of a Pyrochlore‐Type CeO2–ZrO2 Binary Compound

The phase transformation behavior of the superlattice structure of a CeO2–ZrO2 pyrochlore‐type binary compound (CP) was investigated so as to better understand how to improve the thermal stability of such a system. CP was synthesized through high‐temperature reduction of a conventional CeO2–ZrO2 solid solution with a 1:1 molar ratio of Ce and Zr. High‐resolution transmission electron microscopy and selected‐area electron diffraction clearly revealed that the pyrochlore structure of CP transformed to the standard disordered cubic fluorite or tetragonal zirconia structure after having been subjected to a high‐temperature durability test; moreover, it was determined that this phase transformation moves inward from the crystallite surface. This discovery suggests a new method by which to improve upon this material for practical applications.

DFT calculations, spectroscopy and antioxidant activity studies on (E)-2-nitro-4-[(phenylimino)methyl]phenol

We have reported synthesis and characterization of (E)-2-nitro-4-[(phenylimino)methyl]phenol by using X-ray crystallographic method, FT-IR and UV–vis spectroscopies and density functional theory (DFT). Optimized geometry and vibrational frequencies of the title compound in the ground state have been computed by using B3LYP with the 6-311G+(d,p) basis set. HOMO–LUMO energy gap, Non-linear optical properties and NBO analysis of the compound are performed at B3LYP/6-311G+(d,p) level. Additionally, as remarkable properties, antioxidant activity of the title compound (CMPD) has been determined by using different antioxidant test methods i.e. ferric reducing antioxidant power (FRAP), hydrogen peroxide scavenging (HPSA), free radical scavenging (FRSA) and ferrous ion chelating activities (FICA). When compared with standards (BHA, BHT, and α-tocopherol), we have concluded that CPMD has effective FRAP, HPSA, FRSA and FICA.

ENHANCING MUSCULAR PERFORMANCE IN WOMEN: COMPOUND VERSUS COMPLEX, TRADITIONAL RESISTANCE AND PLYOMETRIC TRAINING ALONE

The aim of the current study was to explore the effects of compound (CPD) versus complex training (COX), resistance and plyometric training alone on vertical jump (VJ) height, 20-m sprint time, agility T-test, muscular strength, and endurance in women. A total of 29 healthy women volunteered to participate in this study and were randomly divided into four training groups: plyometric training alone (PT, n = 8), resistance training (RT) alone (RT, n = 7), CPD training (one day PT and another day RT, n = 7), and COX (PT and RT in a session, n = 7). All participants performed their training program twice a week for six weeks and were tested in VJ, sprint (20-m), agility T-test, one repetition maximum leg press (1RMLP), and muscular endurance (60% of 1RMLP) pre- and post-six weeks training period. Statistically, significant improvements were observed in all groups in VJ, 1RMLP, and muscular endurance: PT (19% [ES = 1.59], 45% [ES = 2.95], and 51% [ES = 1.86]), RT (20% [ES = 1.02], 48% [ES = 3.82], and 68% [ES = 2.24]), CPD (27% [ES = 1.79], 40% [ES = 4.23], and 34% [ES = 0.72]), and COX (17.5% [ES = 1], 37% [ES = 1.63], and 65% [ES = 2.25]), respectively. Also, significant decrease was observed in all groups in 20-m sprint time and T-test: PT (15% [ES = 1.01], and 7.6% [ES = 1.1]), RT (7% [ES = 0.89], and 6% [ES = 0.97]), CPD (15% [ES = 1.75], and 8% [ES = 1.1]), and COX (9% [ES = 0.72], and 3% [ES = 0.46), respectively. We found that PT, RT, and combined PT and RT induced positive effects on performance of the women. Also, the CPD group exhibited greater increase in agility performance in comparison to PT. With regard to ES, the CPD group showed greater increase in muscular performance in comparison to other groups.

The effective water management practice for mitigating greenhouse gas emissions and maintaining rice yield in central Japan

Water management practices such as flooding, intermittent drainage (ID), and midseason drainage are important factors for greenhouse gas emissions from paddy fields and rice yields. We measured the direct emissions of methane (CH4) and nitrous oxide (N2O) simultaneously with indirect emissions of carbon dioxide (CO2), CH4, and N2O from drainage pipes in central Japan. These emissions were measured under three types of water management practices: ID, continuous flooding (CF) except midseason drainage, and a compound (CP) treatment with a combination of flooding, midseason drainage, and ID. Cumulative total direct emission of CH4 and N2O in terms of CO2 equivalents was lowest in CP, being 47.1% lower than the highest emission in CF. Cumulative total indirect CO2 equivalent emission of CH4 and N2O was also lowest in CP. More than 90% of gas emissions were direct emission in all treatments. Rice yield was highest for CP, with yields in CF and ID being 7.8% and 43.8% lower, respectively. However, there was little difference in rice quality between treatments. Early drainage in the ID treatment appeared to contribute to lower yield components of numbers of panicles and spikelets per panicle. It also may have promoted nitrification and denitrification, and thus caused the increased direct and indirect N2O emissions. The enhanced nitrification and denitrification may have contributed to significant nitrogen losses in the early vegetative growth stages that would negatively affect the determination of the panicle and spikelet yield components. Therefore, the CP treatment may be an effective water management practice for mitigating greenhouse gas emission and maintaining rice yield in central Japan.

The Effect of COD/N Ratios and pH Control to Biogas Production from Vinasse

Aims: Vinasse thatis bottom product of distillation unit from alcohol industry contains Chemical Organic Compound (COD) in high concentration. The pur pose of this study was toinvestigatethe effect of COD/N ratios of substrate and pH control to biogas production from vinasse. Study Design: This study used anaerobic digestion -laboratory scale at room temperature in batch system. Urea was added a s nitrogen source to adjust COD/N ratios of400/7, 500/7, 600/7, and 700/7. Initial pH for all variables was adjusted 7.0 by using NaOH solution.

A novel highly selective 5-HT6 receptor antagonist attenuates ethanol and nicotine seeking but does not affect inhibitory response control in Wistar rats

Recent studies suggest a potential role for 5-hydroxytryptamine6 (5-HT6) receptors in the regulation of addictive behavior. In the present study, our aim was to investigate whether the novel highly selective 5-HT6 receptor antagonist compound (CMP) 42 affected nicotine and ethanol seeking behavior in Wistar rats. We have also studied whether CMP 42 had beneficial effects in a model of impulse control, as measured in the 5-choice serial reaction time task (5-CSRTT).Rats were trained to nose poke to receive intravenous infusions of nicotine or an ethanol drop. CMP 42 (3–30mg/kg intraperitoneally, i.p.) was administered to investigate the effects on nicotine self-administration. Rats were also tested for cue-induced reinstatement of nicotine and ethanol seeking. In addition, the effects of CMP 42 were studied on the number of anticipatory responses in the 5-CSRTT.CMP 42 was effective in reducing nicotine self-administration and reinstatement of nicotine seeking at a dose of 30mg/kg (i.p.). CMP 42 was also effective in reducing reinstatement of ethanol seeking (30mg/kg i.p.). In contrast, CMP 42 did not affect anticipatory responding at doses tested, indicating no effects on impulse control.These results add to a body of evidence implicating the 5-HT6 receptor as a viable target for the control of drug abuse. Specifically, we demonstrated for the first time effects on nicotine self-administration and on nicotine and ethanol reinstatement. Further, these effects are probably not mediated by effects on impulse control.

Two novel 5-HT6 receptor antagonists ameliorate scopolamine-induced memory deficits in the object recognition and object location tasks in Wistar rats

The 5-hydroxytryptamine6 (5-HT6) receptor has been suggested to play an important role in the regulation of memory and cognition. In the present study, our aim was to investigate whether the novel, selective 5-HT6 antagonists compound (CMP) X and CMP Y and the reference 5-HT6 antagonist GSK-742457 could ameliorate impairments in episodic memory in 3-months-old male Wistar rats. The acetylcholinesterase inhibitor (AChEI) donepezil (Aricept®, approved for symptomatic treatment of Alzheimer’s disease, AD) was used as a positive reference compound. First, effects of the 5-HT6 antagonists CMP X, CMP Y and GSK-742457 were investigated on object recognition task (ORT) performance in rats treated with the muscarinic antagonist scopolamine (0.1mg/kg, administered intraperitoneally, i.p., 30min before trial 1). Second, effects of the combination of suboptimal doses of 5-HT6 antagonists CMP X and CMP Y with the AChEI donepezil were studied, to determine whether the 5-HT6 antagonists show additive synergism with donepezil in the ORT. Finally, effects of CMP Y, GSK-742457 and donepezil were investigated on object location task (OLT) performance in rats treated with scopolamine.Donepezil (1mg/kg, oral administration, p.o.), GSK-742457 (3mg/kg, i.p.), CMP X (3mg/kg, i.p.) and CMP Y (30mg/kg, p.o.), all ameliorated the scopolamine-induced deficits in object recognition. In the ORT, we have found that combined administration of subthreshold doses of CMP X (1mg/kg, i.p.) and CMP Y (10mg/kg, p.o.) with the AChEI donepezil (0.1mg/kg, p.o.), enhanced memory performance in Wistar rats with deficits induced by scopolamine. Donepezil (0.1mg/kg, p.o.) alone had no discernable effects on performance. This suggests additive synergistic effects of the 5-HT6 antagonists (CMP X and CMP Y) with donepezil on cognitive impairment. Finally, donepezil (1mg/kg, p.o.), GSK-742457 (10mg/kg, p.o.) and CMP Y (30mg/kg, p.o.) also reduced scopolamine-induced deficits in the OLT.In conclusion, the 5-HT6 antagonists were found to clearly improve episodic memory deficits induced by scopolamine. In addition, co-administration of the 5-HT6 receptor antagonists CMP X and CMP Y with the AChEI donepezil to cognitively impaired rats also resulted in potentially additive enhancing effects on cognition. This suggests that these compounds could have potential as monotherapy, but also as adjunctive therapy in patients with AD treated with common treatments such as donepezil.

Rheological properties of sMBR sludge under unsteady state conditions

The aim of this work is to investigate the rheological behaviour of MBR sludge for prolonged sludge retention time and during unsteady state conditions. The role of the total suspended solids and of the soluble organic matter is specifically studied through two running periods characterized by different organic loads and/or solid retention times. Diverse rheological parameters are examined. They are obtained from flow measurements carried out for an extent range of shear stress values. The obtained results show clearly that operating conditions capable of changing the total suspended solid (TSS) and soluble organic compound (COD) concentrations modify the rheological behaviour of the sludge. In comparison with the TSS concentration, the soluble organic compounds greatly affect the cohesion and the rigidity of the sludge three dimensional network. On the other hand, the COD concentration and the TSS content have equivalent quantitative influence on the rheological parameters characterizing the flow of the sludge. The results obtained are of great importance because operating conditions leading to the modification of the soluble microbial product concentration, and of the sludge rheological characteristics in the reactor, can strongly modify not only the mixing and aeration performances but also the membrane fouling of the MBR unit.

Reversible Gas Uptake by a Nonporous Crystalline Solid Involving Multiple Changes in Covalent Bonding

Hydrogen chloride gas (HCl) is absorbed (and reversibly released) by a nonporous crystalline solid, [CuCl2(3-Clpy)2] (3-Clpy = 3-chloropyridine), under ambient conditions leading to conversion from the blue coordination compound to the yellow salt (3-ClpyH)2[CuCl4]. These reactions require substantial motions within the crystalline solid including a change in the copper coordination environment from square planar to tetrahedral. This process also involves cleavage of the covalent bond of the gaseous molecules (H-Cl) and of coordination bonds of the molecular solid compound (Cu-N) and formation of N-H and Cu-Cl bonds. These reactions are not a single-crystal-to-single-crystal transformation; thus, the crystal structure determinations have been performed using X-ray powder diffraction. Importantly, we demonstrate that these reactions proceed in the absence of solvent or water vapor, ruling out the possibility of a water-assisted (microscopic recrystallization) mechanism, which is remarkable given all the structural changes needed for the process to take place. Gas-phase FTIR spectroscopy has permitted us to establish that this process is actually a solid-gas equilibrium, and time-resolved X-ray powder diffraction (both in situ and ex situ) has been used for the study of possible intermediates as well as the kinetics of the reaction.

Adsorption of bile acid by chitosan salts prepared with cinnamic acid and analogue compounds

A chitosan (CS) powder treated with cinnamic acid and an analogue compound (CN) was prepared as CS-CN. Using it, bile acid adsorption by CS-CN and the release of CN were investigated in vitro. When CS-CN was soaked in a taurocholate solution, it released CN and simultaneously adsorbed the bile acid. For CS-CN prepared with cinnamic acid, the amount of CN released was 0.286 ± 0.001 mmol/g CS-CN; the amount of taurocholate adsorbed was 0.284 ± 0.003 mmol/g CS-CN. These two functions were recognized on alginate or pectin gel beads containing CS-CN. The amount of released CN was altered extensively by the species of CN used for gel-bead preparation. Results suggest that CS-CN is a candidate for complementary medicine to prevent lifestyle-related diseases.

Growth of FePt nanocrystals by a single bimetallic precursor [(CO)3Fe(µ-dppm)(µ-CO)PtCl2

A new single source approach was developed to synthesize face-centered tetragonal (fct) FePt nanoparticles using bimetallic compound (CO)3Fe(mu-dppm)(mu-CO)PtCl2, which has been characterized by single crystal X-ray diffraction and was used as the precursor to ensure the accurate stoichiometry of the final FePt product; the ability of the molecular complex to act as a single source precursor for the formation of fct FePt nanocrystals with an average diameter of 3.2 nm has been demonstrated.

Increased manganese uptake by primary astrocyte cultures with altered iron status is mediated primarily by divalent metal transporter

Neurotoxicity due to excessive brain manganese (Mn) accumulation can occur via occupational exposure to aerosols or dusts that contain extremely high levels (>1–5 mg Mn/m 3) of Mn, or metabolic aberrations (decreased biliary excretion). Given the putative role of astrocytes in regulating the movement of metals across the blood-brain barrier, we sought to examine the relationship between iron (Fe) status and Mn transport in astrocytes. Furthermore, our study examined the effect of Fe status on astrocytic transferrin receptor (TfR) and divalent metal transporter (DMT-1) levels and their relationship to Mn uptake, as both have been implicated as putative Mn transporters. All experiments were carried out in primary astrocyte cultures derived from neonatal rats when the cells reached full confluency (about three weeks in culture). Astrocytes were incubated for 24 h in astrocyte growth medium (AGM) containing 200 μM desferroxamine (ID), 500 μM ferrous sulfate (+Fe), or no compound (CN). After 24 h, 5 min 54Mn uptake was measured and protein was harvested from parallel culture plates for DMT-1 and TfR immunoblot analysis. Both iron deprivation (ID) and iron overload (+Fe) caused significant increases ( p < 0.05) in 54Mn uptake in astrocytes. TfR levels were significantly increased ( p < 0.05) due to ID and decreased in astrocytes exposed to +Fe treatments. As expected, DMT-1 was increased due to Fe deprivation, but surprisingly, DMT-1 levels were also increased due to +Fe treatment, albeit not to the extent noted in ID. The decreased TfR associated with +Fe treatment and the increased DMT-1 levels suggest that DMT-1 is a likely putative transporter of Mn in astrocytes.

Crescimento de mudas de Eucalyptus grandis em diferentes tamanhos de tubetes e fertilização N-P-K

O experimento foi instalado com o objetivo de estudar o crescimento de mudas de Eucalyptus grandis produzidas em diferentes tamanhos de tubetes e fertilização N-P-K. O substrato utilizado foi uma mistura de 80% de composto orgânico (CO) e de 20% de moinha de carvão (MC), adubados com a presença e ausência dos elementos N, P e K. Como embalagens foram utilizados quatro tamanhos de tubetes de plástico rígido, com volumes de 50, 110, 200 e 280 cm³. Os volumes dos tubetes devem ser considerados para produção de mudas de Eucalyptus grandis. Apesar de os melhores crescimentos terem sido obtidos nos maiores tubetes, estes não devem ser utilizados, uma vez que as alturas das mudas estão acima das tecnicamente ótimas para o plantio, além de o custo de produção ser onerado. Aos 60 dias de idade as mudas ainda estão pequenas e bastante tenras, sem o endurecimento adequado para o plantio no campo. Aos 120 dias após a semeadura a restrição ao crescimento das raízes e da altura das mudas é afetada, mesmo nos tubetes de maiores volumes, não sendo essa a idade indicada. O tubete de 110 cm³ de volume deve ser considerado para mudas com 90 dias de idade.

Parâmetros morfológicos na avaliação de qualidade de mudas de Eucalyptus grandis

Este experimento foi instalado com o objetivo de estudar os parâmetros morfológicos nas avaliações da qualidade de mudas de Eucalyptus grandis produzidas em diferentes tamanhos de tubetes. O substrato utilizado foi uma mistura de 80% de composto orgânico (CO) e de 20% de moinha de carvão (MC), adubados com a presença e ausência dos elementos N, P e K. Como embalagens foram utilizados quatro tamanhos de tubetes de plástico rígido, com volumes de 50, 110, 200 e 280 cm³. A adoção da altura e da relação altura/peso de matéria seca da parte aérea deve ser considerada, por terem sido estes os parâmetros que apresentaram boa contribuição relativa à qualidade das mudas, sem contudo ser um processo destrutivo. A adoção somente da altura para estimar a qualidade de mudas, aos 90 dias de idade no tubete de 110 cm³ de volume, poderá ser utilizada por apresentar boa contribuição relativa e por ser um parâmetro de fácil determinação e não ser um método destrutivo, além de sua medição ser muito fácil.

THE REACTION OF OCTACARBONYLDICOBALT AND PROPARGYL TRICHLOROACETATE

The reaction of octacarbonyldicobalt and propargyl trichloroacetate gave the expected unknown compound (CO)9Co3(μ3-C)C(O)OCH2(7μ-CCH)Co2(CO)6 (1) and the unexpected known compound (CO)9Co3(μ3-C)CH2CH3 (2). Both (1) and (2) were characterized by elemental analysis and 1H NMR spectra. The molecular structure of (1) was determined by single-crystal X-ray diffraction methods.