In the title complex, C6H12N4*C8H8O3, the hexamethylenetetramine molecule accepts a single intermolecular O-H...N hydrogen bond from the hydroxy group of the 4-hydroxy-3-methoxybenzaldehyde moiety. The non-centrosymmetric crystal structure is built from alternating molecular sheets of 4-hydroxy-3-methoxybenzaldehyde and hexamethylenetetramine molecules, and is stabilized by intermolecular O-H...N, C-H...O and C-H...pi interactions.
An optical urea biosensor was fabricated by stacking several layers of sol-gelfilms. The stacking of the sol-gel films allowed the immobilization of a Nile Bluechromoionophore (ETH 5294) and urease enzyme separately without the need of anychemical attachment procedure. The absorbance response of the biosensor was monitoredat 550 nm, i.e. the deprotonation of the chromoionophore. This multi-layer sol-gel filmformat enabled higher enzyme loading in the biosensor to be achieved. The urea opticalbiosensor constructed from three layers of sol-gel films that contained urease demonstrateda much wider linear response range of up to 100 mM urea when compared with biosensorsthat constructed from 1-2 layers of films. Analysis of urea in urine samples with thisoptical urea biosensor yielded results similar to that determined by a spectrophotometricmethod using the reagent p-dimethylaminobenzaldehyde (R² = 0.982, n = 6). The averagerecovery of urea from urine samples using this urea biosensor is approximately 103%.
Molecular structure and properties of 2-fluoro-4-bromobenzaldehyde (FBB, C7H4BrFO) was experimentally investigated by X-ray diffraction technique and vibrational spectroscopy. Experimental results on the molecular structure of FBB were supported with computational studies using the density functional theory, with the Becke-3-Lee-Yang-Parr functional and the 6-311+G(3df,p) basis set. Molecular dimer formed by the intermolecular hydrogen bonding was investigated. Potential energy distribution analysis of normal modes was performed to identify characteristic frequencies. FBB crystallizes in orthorhombic space group P2(1)2(1)2(1) with the O-trans conformation. In order to investigate halogen effect, the chloro- (CBB) and bromo- (BBB) analogs of FBB have also been studied theoretically. It is observed that all compounds prefer the stable O-trans conformation. Although the free energy difference between the O-cis and O-trans conformers is less than 2.5 kcal/mol, the free energy rotational barrier is at least 7.4 kcal/mol. There is a good agreement between the experimentally determined structural parameters, and vibrational frequencies of FBB and those predicted theoretically.
The title compound, C17H18N2O2S2, synthesized via a condensation reaction between S-benzyl di-thio-carbazate and 3,4-di-meth-oxy-benzaldehyde, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an L-shape but differ in the orientation of the benzyl ring with respect to the 3,4-di-meth-oxy-benzyl-idine ring, this dihedral angle is 65.59 (8)° in mol-ecule A and 73.10 (8)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked via pairs of N-H⋯S hydrogen bonds, forming dimers with an R 2 (2)(8) ring motif. The dimers are linked via pairs of C-H⋯O hydrogen bonds, giving inversion dimers of dimers. These units are linked by C-H⋯π inter-actions, forming ribbons propagating in the [100] direction.
The Semantan Formation which is Middle to Upper Triassic age, comprises a rapidly alternating sequence of carbonaceous shale, siltstone and rhyolite tuff with a few lenses of chert, conglomerate and recrystallised limestone. The shale and tuff make up the bulk of the sequence. Jaafar Ahmad (1976) was introduced the formation name of the rock sequence in Karak-Temerloh area, but the similar sequence (in term of lithology, paleontology and structural pattern) found in the other areas were given different names. After an extensive study, the following formations or part of them, may be include in the Semantan Formation; Raub Series (Scrivenor 1911); Calcareous Formation (Richardson 1939); Calcareous Series (Richardson 1947); Younger arenaceous Series (Alexander 1956); Raub Group (Alexander 1959); Jengka Pass Formation (Ichikawa et al. 1966); Kerdau Formation (Burton 1973a); part of Jelai Formation (Burton 1973a); Gemas Formation (Lum 1977); Jurong Formation (Burton 1973a); Pahang Volcanic Series (Hutchison 1973c).
Formasi Semantan merupakan jujukan batuan sedimen yang berusia Trias Tengah - Akhir di Jalur Tengah Semenanjung Malaysia. Jujukan ini terdiri daripada selang lapis batuan syal berkarbon, batu lodak, dan batu pasir yang kebanyakannya bertuf, serta terdapat kekanta konglomerat, batu kapur dan rijang dalam selang lapis ini. Syal adalah unit yang paling dominan dalam formasi ini. Jaafar Ahmad (1976) menamakan jujukan ini untuk kawasan Karak - Temerloh, tetapi jujukan yang serupa (dari segi litologi, paleontologi dan gaya struktur) juga ditemui di kawasan lain, tetapi dipanggil dengan nama lain. Dari hasil kajian menyeluruh yang telah dijalankan, didapati nama-nama unit batuan berikut atau sebahagian daripadanya mungkin merupakan penamaan yang serupa untuk Formasi Semantan, iaitu Siri Raub (Scrivenor 1911), Formasi Berkapur (Richardson 1939), Siri Berkapur (Richardson 1947), Siri Arenit Muda (Alexander 1958), sebahagian Kumpulan Raub (Alexander 1959), Formasi Jengka Pass (Ichikawa et al. 1966), Formasi Kerdau (Burton 1973a), sebahagian Formasi Jelai (Burton 1973a), Formasi Gemas (Lum 1977), Formasi Jurong (Burton 1973a) dan Siri Volkano Pahang (Hutchison 1973).
To isolate a bacterial strain capable of biotransforming ferulic acid, a major component of lignin, into vanillin and vanillic acid by a rapid colorimetric screening method.
Globally, cancer is the leading cause of death and morbidity, and skin cancer is the most common cancer diagnosis. Skin problems can be treated with nanoparticles (NPs), particularly with zinc oxide (ZnO) NPs, which have antioxidant, antibacterial, anti-inflammatory, and anticancer properties. An antibacterial activity of zinc oxide nanoparticles prepared in the presence of 4-nitrobenzaldehyde (4NB) was also tested in the present study. In addition, the influence of synthesized NPs on cell apoptosis, cell viability, mitochondrial membrane potential (MMP), endogenous reactive oxygen species (ROS) production, apoptosis, and cell adhesion was also examined. The synthesized 4-nitro benzaldehyde with ZnO (4NBZnO) NPs were confirmed via characterization techniques. 4NBZnO NPs showed superior antibacterial properties against the pathogens tested in antibacterial investigations. As a result of dose-based treatment with 4NBZnO NPs, cell viability, and MMP activity of melanoma cells (SK-MEL-3) cells were suppressed. A dose-dependent accumulation of ROS was observed in cells exposed to 4NBZnO NPs. As a result of exposure to 4NBZnO NPs in a dose-dependent manner, viable cells declined and apoptotic cells increased. This indicates that apoptotic cell death was higher. The cell adhesion test revealed that 4NBZnO NPs reduced cell adhesion and may promote apoptosis of cancer cells because of enhanced ROS levels.
The title aza-stilbene derivative, C14H13NO2 {systematic name: (E)-2-[(4-meth-oxy-benzyl-idene)amino]-phenol}, is a product of the condensation reaction between 4-meth-oxy-benzaldehyde and 2-amino-phenol. The mol-ecule adopts an E conformation with respect to the azomethine C=N bond and is almost planar, the dihedral angle between the two substituted benzene rings being 3.29 (4)°. The meth-oxy group is coplanar with the benzene ring to which it is attached, the Cmeth-yl-O-C-C torsion angle being -1.14 (12)°. There is an intra-molecular O-H⋯N hydrogen bond generating an S(5) ring motif. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming zigzag chains along [10-1]. The chains are linked via C-H⋯π inter-actions, forming a three-dimensional structure.
This study is focused on formulating a natural-based fabric softener using baking
soda and vinegar with the addition of insect repellent finish of citronella oil and
vanillin. The effectiveness of the fabric softener was evaluated by conducting a fabric
stiffness test on both untreated and treated fabric samples with the softener
formulated in this study. The assessment for the efficacy of insect repellence was
carried out using 3 human participants of the same gender and build but different
blood type, positioned at a mosquito infested area. Three tests; negative, positive, and
normal tests were conducted to evaluate the effectiveness of the formulated mosquito
repellent finishes in the fabric softener. The results show that the formulated fabric
softener is good mosquito repellent and it is good at giving a soft effect on the treated
fabric.
Response Surface Methodology (RSM) was used in the study to optimize the production of vanillin from isoeugenol through fermentation by Aspergillus niger I-1472. Three factors were studied which include amount of isoeugenol, resin (Amberlite XAD-4) and Span 80. During fermentation, isoeugenol as substrate were vortexed with Span 80 and added into the culture on Day 4. Resin (Amberlite XAD-4) was added into the medium the following day. The predicted optimum medium combination consisted of 3.61 g/L of isoeugenol, 5.8% (g/ mL) of Amberlite XAD-4 resin and 0.37% of Span 80 with an expected vanillin production of 0.137 g/L. Verification test showed that the model produced similar predicted and experimental values.
Vanillin is useful as anti-sickle cell anemia, anti-mutagen and anti-bacteria agent. However, vanillin must be administered at high concentration and cannot be oxidized by the upper gastrointestinal track of patients to be medically effective. In this study, we assessed the toxic effect of vanillin when administered in an un-oxidized form at high concentrations (150 and 300 mg/kg) via oral and intra-peritoneal injection. It was found that 300 mg/kg vanillin injection caused the rats to be unconscious without exerting any toxic effect on blood cells, kidney and liver. Besides, it showed blood protective property. Further analysis with GenomeLab GeXP genetic system on brain tissues showed that the expression of most xenobiotic metabolism, cell progression, tumor suppressor, DNA damage and inflammation genes were maintained at normal level. However, the expression of a few xenobiotic metabolism, cell cycle arrest and apoptosis genes were up-regulated by 5% ethanol injection. Nevertheless, when 5% ethanol was injected with the presence of vanillin, the expression was back to normal level. It is postulated that vanillin might have neuro-protective property. In conclusion, vanillin is not toxic at high concentration in both oral and intra-peritoneal injection and could provide blood and brain protective properties.
Pyrazoline and benzimidazoles derivatives have been widely studied due to their potential applications in the medicinal field. In this research project, we have hybridized these two heterocyclic systems in the same molecule. A new series of compounds, 2-((3,5-diaryl-4,5-dihydro-1H-pyrazol-1-yl)methyl)-1H-benzo[d]imidazole (5a-i) were synthesized through a multistep reaction. In the first step, chalcones 3a-i were prepared by coupling of various acetophenones and benzaldehydes under alkaline conditions. These chalcones were cyclized with hydrazine hydrate to form a series of pyrazolines which were finally coupled with 2-chloromethyl-1H-benzimidazole to get a new series of titled hybrid molecules. The structures of these compounds were elucidated by spectral (1H NMR and 13C NMR) analysis. The anti-diabetic potential of these compounds was studied by screening them for their α-glucosidase inhibition activity. The SAR was established through molecular docking analysis. Compound 5d appeared as effective inhibitor with IC50 = 50.06μM as compared to reference drug (acarbose) having IC50 = 58.8μM.
Reconstructions of genome-scale metabolic networks from different organisms have become popular in recent years. Metabolic engineering can simulate the reconstruction process to obtain desirable phenotypes. In previous studies, optimization algorithms have been implemented to identify the near-optimal sets of knockout genes for improving metabolite production. However, previous works contained premature convergence and the stop criteria were not clear for each case. Therefore, this study proposes an algorithm that is a hybrid of the ant colony optimization algorithm and flux balance analysis (ACOFBA) to predict near optimal sets of gene knockouts in an effort to maximize growth rates and the production of certain metabolites. Here, we present a case study that uses Baker's yeast, also known as Saccharomyces cerevisiae, as the model organism and target the rate of vanillin production for optimization. The results of this study are the growth rate of the model organism after gene deletion and a list of knockout genes. The ACOFBA algorithm was found to improve the yield of vanillin in terms of growth rate and production compared with the previous algorithms.
Mohammad Anwar Mohamed Iqbal, Muhammad Zulhelmi Nazri, Mohammad Norazmi Ahmad, Erna Normaya Abdullah, Umie Fatihah Mohamad Haziz, Mohd Rizal Razali, et al.
Silver (I) dicyanonitrosomethanide, Ag[ONC(CN)2] represent a 3D interwoven coordination polymer organization in which all the donor atoms of the functional groups of ONC(CN)2- are coordinated to the Ag(I). Oxidation of styrene utilizing H2O2 as an oxidant in acetonitrile (CH3CN) was used as a model reaction to investigate the catalytic potential of the Ag (I) complex. The CH3CN was chosen as the solvent based on the data collected from Conductor like Screening Model for Real Solvents (COSMO-RS) study. The data indicate that the Ag [ONC(CN)2] complex was compatible and soluble in CH3CN. Different parameters such as styrene:H2O2 molar ratio, reaction time, catalyst mass, and reaction temperature were studied. Highest styrene conversion (36%) with 100% selectivity towards benzaldehyde (BZ) was achieved when 25 mg catalyst, 1:1 styrene to H2O2 molar ratio were used. The reaction was carried out at 303 K for 3 h. The catalytic conversion of styrene to BZ is proposed to take place via [Ag-H2O2] adduct with styrene oxide (StO) as an intermediate. Molecular Electrostatic Potential (MEP) shows that the Ag atom has the highest probability to coordinate with the oxygen atom of H2O2. The MEP data confirms the proposed mechanism.
This study was conducted to evaluate the potential of pineapple peel (PP) and pineapple crown leaves (PCL) as the substrate for vanillic acid and vanillin production. About 202 ± 18 mg L-1 and 120 ± 11 mg L-1 of ferulic acid was produced from the PP and PCL respectively. By applied response surface methodology, the ferulic acid yield was increased to 1055 ± 160 mg L-1 by treating 19.3% of PP for 76 min, and 328 ± 23 mg L-1 by treating 9.9% of PCL for 36 min in aqueous sodium hydroxide solution at 120 °C. The results revealed that PP extract was better than PCL extract for vanillic acid and vanillin production. Furthermore, the experiment also proved that large volume feeding was more efficient than small volume feeding for high vanillic acid and vanillin yield. Through large volume feeding, about 7 ± 2 mg L-1 of vanillic acid and 5 ± 1 mg L-1 of vanillin was successfully produced from PP extract via Aspergillus niger fermentation.
Alpinia conchigera Griff. is a plant species from the family Zingiberaceae. Coloquially known as wild ginger, Alpinia conchigera Griff. is used as food condiment and for traditional treatment of skin diseases. Isolation studies to identify bioactive compounds of rhizomes of Alpinia conchigera yielded seven compounds; 1'S-1'-acetoxychavicol acetate (1), trans-p-coumaryl diacetate (2), p-hydroxycinnamyl acetate (3), 1'S-1'-hydroxychavicol acetate (4) p-hydroxybenzaldehyde (5), stigmasterol (6) and β-sitosterol (7). Compounds 1, 2 and 5 were evaluated for antimicrobial activity against methicillin-resistant Staphylococcus aureus (MRSA). Among the compounds tested, Compound 1 showed good antimicrobial activity against the strain of MRSA with minimum inhibition concentration (MIC) value of 0.5 mg/mL. Meanwhile, Compounds 2 and 5 exhibited moderate activity with MIC value between 1.0 and 2.0 mg/mL. These findings indicate antimicrobial potential of 1'S-1'-acetoxychavicol acetate (1), compound derived from rhizome of Alpinia conchigera Griff. against MRSA, which warrant further investigation.
In this study, pineapple cannery waste materials were used as substrate for the microbial production of vanillic acid and vanillin by Aspergillus niger I-1472 and Pycnoporus cinnabarinus MUCL 39533. Biotransformation of ferulic acid from pineapple waste by A. niger I-1472 to vanillic acid was optimized using Response Surface Methodology (RSM). A central composite rotatable design was used to allocate treatment combinations and factors tested for their influence on vanillic acid production were inoculum size, yeast extract concentration, diammonium tartrate concentration and initial medium pH. The amount of vanillic acid produced was used as the response for the fermentation study and was assumed to be under the influence of the four factors tested. The estimated conditions for optimal vanillic acid production were inoculum size, 3.08 ×105 CFU mL-1; yeast extract, 0.37 gL-1; diammonium tartrate, 3.88 gL-1 and initial pH, 4.3. Subsequent biotransformation of vanillic acid by P. cinnabarinus MUCL 39533 to vanillin was enhanced with the addition of resin. Under these optimal conditions, 141.00 mgL-1 of vanillin was produced from 5 g of pineapple cannery waste.
Boronic acids have been widely investigated for their potential use as glucose sensors in glucose responsive polymeric insulin delivery systems. Interactions between cyclic diols and boronic acids, anchored to polymeric delivery systems, may result in swelling of the delivery system, releasing the drug. In this study, 4-formylphenylboronic acid conjugated chitosan was formulated into insulin containing nanoparticles via polyelectrolyte complexation. The nanoparticles had an average diameter of 140 ± 12.8 nm, polydispersity index of 0.17 ± 0.1, zeta potential of +19.1 ± 0.69 mV, encapsulation efficiency of 81% ± 1.2%, and an insulin loading capacity of 46% ± 1.8% w/w. Changes in size of the nanoparticles and release of insulin were type of sugar- and concentration-dependent. High concentration of diols resulted in a sustained release of insulin due to crosslink formation with boronic acid moieties within the nanoparticles. The formulation has potential to be developed into a self-regulated insulin delivery system for the treatment of diabetes.
A mononuclear and new tetranuclear metal complexes of Zn(II) with Schiff base ligands L1 and L2 respectively, were synthesised. L1 was obtained through the condensation of salicylaldehyde with ortho-phenylenediamine while L2 was the product of reaction between of ortho-vanillin with 2,4,6-trimethyl-m-phenylenediamine. The ligands and complexes were characterised via elemental analysis, melting point, IR and NMR spectroscopy. The shifting of v(C=N), v(C-OH) and v(O-CH3) infrared peaks upon coordination with Zn(II) indicated that these three moieties play a significant role in the complexation. It was found that L1 acted as tetradentate ligand, coordinating with Zn(II) centres through phenolic oxygen and imine nitrogen. The ligand L2 acted as a hexadentate ligand, bonded to metal via phenolic oxygen, imine nitrogen and methoxy oxygen, where four Zn(II) centres formed bridges to connect two ligands.
New compound, namely (Z)-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide was successfully synthesized using thiosemicarbazide with 4-(trifluoromethyl)-benzaldehyde in ethanol solution. The data presented in this articles is related to our research articles entitled "Crystal Structure of (Z)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide" (Osman et al., 2017) [1]. This work shows the continue data from experimental spectroscopic measurement which are Fourier Transform Infrared (FTIR) and 13C Nuclear Magnetic Resonance (13C NMR). Assessment on the correlation with theoretical computational data was also carried out through GaussView 5.0.9 and Gaussian09 software. Molecular Electrostatic Potential (MEP) and Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) were also illustrated.