Displaying publications 1 - 20 of 616 in total

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  1. Chaudhary S, Nair AB, Shah J, Gorain B, Jacob S, Shah H, et al.
    AAPS PharmSciTech, 2021 Apr 09;22(3):127.
    PMID: 33835317 DOI: 10.1208/s12249-021-01995-y
    Being a candidate of BCS class II, dolutegravir (DTG), a recently approved antiretroviral drug, possesses solubility issues. The current research was aimed to improve the solubility of the DTG and thereby enhance its efficacy using the solid dispersion technique. In due course, the miscibility study of the drug was performed with different polymers, where Poloxamer 407 (P407) was found suitable to move forward. The solid dispersion of DTG and P407 was formulated using solvent evaporation technique with a 1:1 proportion of drug and polymer, where the solid-state characterization was performed using differential scanning calorimetry, Fourier transform infrared spectroscopy and X-ray diffraction. No physicochemical interaction was found between the DTG and P407 in the fabricated solid dispersion; however, crystalline state of the drug was changed to amorphous as evident from the X-ray diffractogram. A rapid release of DTG was observed from the solid dispersion (>95%), which is highly significant (p<0.05) as compared to pure drug (11.40%), physical mixture (20.07%) and marketed preparation of DTG (35.30%). The drug release from the formulated solid dispersion followed Weibull model kinetics. Finally, the rapid drug release from the solid dispersion formulation revealed increased Cmax (14.56 μg/mL) when compared to the physical mixture (4.12 μg/mL) and pure drug (3.45 μg/mL). This was further reflected by improved bioavailability of DTG (AUC: 105.99±10.07 μg/h/mL) in the experimental Wistar rats when compared to the AUC of animals administered with physical mixture (54.45±6.58 μg/h/mL) and pure drug (49.27±6.16 μg/h/mL). Therefore, it could be concluded that the dissolution profile and simultaneously the bioavailability of DTG could be enhanced by means of the solid dispersion platform using the hydrophilic polymer, P407, which could be projected towards improved efficacy of the drug in HIV/AIDS.
    Matched MeSH terms: X-Ray Diffraction
  2. Mahamad Yusoff NF, Idris NH, Md Din MF, Majid SR, Harun NA, Rahman MM
    ACS Omega, 2020 Nov 17;5(45):29158-29167.
    PMID: 33225147 DOI: 10.1021/acsomega.0c03888
    Mn3O4 is considered to be a promising anode material for sodium-ion batteries (SIBs) because of its low cost, high capacity, and enhanced safety. However, the inferior cyclic stability of the Mn3O4 anode is a major challenge for the development of SIBs. In this study, a one-step solvothermal method was established to produce nanostructured Mn3O4 with an average particle size of 21 nm and a crystal size of 11 nm. The Mn3O4 obtained exhibits a unique architecture, consisting of small clusters composed of numerous tiny nanoparticles. The Mn3O4 material could deliver high capacity (522 mAh g-1 at 100 mA g-1), reasonable cyclic stability (158 mAh g-1 after 200 cycles), and good rate capability (73 mAh g-1 at 1000 mA g-1) even without further carbon coating, which is a common exercise for most anode materials so far. The sodium insertion/extraction was also confirmed by a reversible conversion reaction by adopting an ex situ X-ray diffraction technique. This simple, cost-effective, and environmentally friendly synthesis technique with good electrochemical performance shows that the Mn3O4 nanoparticle anode has the potential for SIB development.
    Matched MeSH terms: X-Ray Diffraction
  3. Yusof Y, Moosavi S, Johan MR, Badruddin IA, Wahab YA, Hamizi NA, et al.
    ACS Omega, 2021 Feb 16;6(6):4184-4191.
    PMID: 33644542 DOI: 10.1021/acsomega.0c04864
    This study presents the electromagnetic (EM) characterization of a multiwalled carbon nanotubes (MWCNT)-silver nanoparticles (AgNP)-reinforced poly(vinyl alcohol) (PVA) hybrid nanocomposite fabricated via the solution mixing technique. Primarily, the structure and morphological properties of the PVA/MWCNT-AgNP hybrid nanocomposite are confirmed by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). The complex permittivity (ε*) and permeability (μ*), as well as the electromagnetic scattering parameters are measured using a PNA network analyzer equipped with X-band waveguide. The results showed an enhanced permittivity (ε' ≈ 25) value of the hybrid nanocomposite in the frequency range of 8-12 GHz. However, the permeability decreased to almost zero (μ' ≈ 0.4) since the inclusion of AgNP with an average particle size of 40 nm is not susceptible to magnetization and causes higher magnetic losses (tan δμ) than dielectric losses (tan δε). Remarkably, the hybrid nanocomposite reduced transmission of electromagnetic (EM) wave by nearly 60% in comparison to PVA/MWCNT. This is attributed to the enhanced absorption and reflection at the nanotubes, and metal-dielectric interfaces have induced multiple internal reflections owing to the porous structure of the nanocomposite. The prospect of the PVA/MWCNT-AgNP hybrid nanocomposite is favorable as a thin absorbing material for EM shielding applications.
    Matched MeSH terms: X-Ray Diffraction
  4. Jian Fui C, Xin Ting T, Sarjadi MS, Amin Z, Sarkar SM, Musta B, et al.
    ACS Omega, 2021 Mar 16;6(10):6766-6779.
    PMID: 33748590 DOI: 10.1021/acsomega.0c05840
    Highly active natural pandanus-extracted cellulose-supported poly(hydroxamic acid)-Cu(II) complex 4 was synthesized. The surface of pandanus cellulose was modified through graft copolymerization using purified methyl acrylate as a monomer. Then, copolymer methyl acrylate was converted into a bidentate chelating ligand poly(hydroxamic acid) via a Loosen rearrangement in the presence of an aqueous solution of hydroxylamine. Finally, copper species were incorporated into poly(hydroxamic acid) via the adsorption process. Cu(II) complex 4 was fully characterized by Fourier transform infrared (FTIR), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray (EDX), transmission electron microscopy (TEM), inductively coupled plasma optical emission spectrometry (ICP-OES), thermogravimetric analysis (TGA), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) analyses. The cellulose-supported Cu(II) complex 4 was successfully applied (0.005 mol %) to the Ullmann etherification of aryl, benzyl halides, and phenacyl bromide with a number of aromatic phenols to provide the corresponding ethers with excellent yield [benzyl halide (70-99%); aryl halide (20-90%)]. Cu(II) complex 4 showed high stability and was easily recovered from the reaction mixture. It could be reused up to seven times without loss of its original catalytic activity. Therefore, Cu(II) complex 4 can be commercially utilized for the preparation of various ethers, and this synthetic technique could be a part in the synthesis of natural products and medicinal compounds.
    Matched MeSH terms: X-Ray Diffraction
  5. Masood A, Maheen S, Khan HU, Shafqat SS, Irshad M, Aslam I, et al.
    ACS Omega, 2021 Mar 30;6(12):8210-8225.
    PMID: 33817480 DOI: 10.1021/acsomega.0c06242
    The current research aimed at designing mesoporous silica nanoparticles (MSNs) for a controlled coadministration of salicylic acid (SA) and ketoconazole (KCZ) to effectively treat highly resistant fungal infections. The sol-gel method was used to formulate MSNs, which were further optimized using central composite rotatable design (CCRD) by investigating mathematical impact of independent formulation variables such as pH, stirring time, and stirring speed on dependent variables entrapment efficiency (EE) and drug release. The selected optimized MSNs and pure drugs were subjected to comparative in vitro/in vivo antifungal studies, skin irritation, cytotoxicity, and histopathological evaluations. The obtained negatively charged (-23.1), free flowing spherical, highly porous structured MSNs having a size distribution of 300-500 nm were suggestive of high storage stability and improved cell proliferation due to enhanced oxygen supply to cells. The physico-chemical evaluation of SA/KCZ-loaded MSNs performed through powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and thermal gravimetric analysis (TGA) indicates absolute lack of any interaction between formulation components and successful encapsulation of both drugs in MSNs. The EESA, EEKCZ, SA release, and KCZ release varied significantly from 34 to 89%, 36 to 85%, 39 to 88%, and 43 to 90%, respectively, indicating the quadratic impact of formulation variables on obtained MSNs. For MSNs, the skin tolerability and cell viability percentage rate were also having an extraordinary advantage over suspension of pure drugs. The optimized SA/KCZ-loaded MSNs demonstrated comparatively enhanced in vitro/in vivo antifungal activities and rapid wound healing efficacy in histopathological evaluation without any skin irritation impact, suggesting the MSNs potential for the simultaneous codelivery of antifungal and keratolyic agents in sustained release fashion.
    Matched MeSH terms: X-Ray Diffraction
  6. Al-Japairai KAS, Alkhalidi HM, Mahmood S, Almurisi SH, Doolaanea AA, Al-Sindi TA, et al.
    ACS Omega, 2020 Dec 22;5(50):32466-32480.
    PMID: 33376884 DOI: 10.1021/acsomega.0c04588
    Telmisartan suffers from low oral bioavailability due to its poor water solubility. The research work presents a formulation of solid dispersed (SD) telmisartan formulation as a ternary mixture of a drug, a polymeric carrier (poly(vinylpyrrolidone) (PVP) K30), and an alkalizer (Na2CO3). The preparation method, which was lyophilization of an aqueous solution containing the ingredients, was free from any organic solvent. The developed SD formulations resulted in a significant improvement in in vitro dissolution (>90% drug dissolution in 15 min) compared to pure telmisartan. Solid-state characterization by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and X-ray diffraction (XRD) studies indicated the conversion of crystalline telmisartan into an amorphous form. Fourier transform infrared (FTIR) spectroscopy revealed the drug-polymer interaction that was responsible for reducing the chances of recrystallization. A short-term stability study showed that selected SD formulations were stable in terms of in vitro dissolution and retained their amorphous structure in ambient and accelerated conditions over 2 months. Selected formulations (drug/PVP K30/Na2CO3 as 1:1:2 or 1:2:2 weight ratio) resulted in >2.48 times relative oral bioavailability compared to marketed formulations. It was considered that the incorporation of an alkalizer and a hydrophilic polymer, and amorphization of telmisartan by lyophilization, could enhance in vitro dissolution and improve oral bioavailability.
    Matched MeSH terms: X-Ray Diffraction
  7. Oh WC, Fatema KN, Liu Y, Jung CH, Sagadevan S, Biswas MRUD
    ACS Omega, 2020 Jul 21;5(28):17337-17346.
    PMID: 32715218 DOI: 10.1021/acsomega.0c01699
    In this study, we demonstrate the fabrication and characterization of a new quaternary semiconductor nanocomposite of LiCuMo2O11/graphene oxide/polypyrrole (LCMGP) via a hydrothermal method and testing of an NH3 and H2SO4 sensor operating in gaseous states at room temperature. We used X-ray diffraction, transmission electron microscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy to characterize the properties of LCMGP nanostructures. Our sensor is capable of detecting NH3 and H2SO4 and quantifying their concentration in the gas flow. These results have been confirmed by exposing the sensor to different concentrations of NH3 and H2SO4 (100-1000 ppm). The obtained results confirm the exceptional sensing properties of the graphene-polymer-combined quaternary semiconductor nanocomposite related to the oxidation-reduction process that can be used for detection, identification, and quantification purposes.
    Matched MeSH terms: X-Ray Diffraction
  8. Shitu IG, Liew JYC, Talib ZA, Baqiah H, Awang Kechik MM, Ahmad Kamarudin M, et al.
    ACS Omega, 2021 Apr 27;6(16):10698-10708.
    PMID: 34056223 DOI: 10.1021/acsomega.1c00148
    A rapid, sustainable, and ecologically sound approach is urgently needed for the production of semiconductor nanomaterials. CuSe nanoparticles (NPs) were synthesized via a microwave-assisted technique using CuCl2·2H2O and Na2SeO3 as the starting materials. The role of the irradiation time was considered as the primary concern to regulate the size and possibly the shape of the synthesized nanoparticles. A range of characterization techniques was used to elucidate the structural and optical properties of the fabricated nanoparticles, which included X-ray diffraction, energy-dispersive X-ray spectroscopy (EDX), atomic force microscopy, field emission scanning electron microscopy, Raman spectroscopy (Raman), UV-Visible diffuse reflectance spectroscopy (DRS), and photoluminescence spectroscopy (PL). The mean crystallite size of the CuSe hexagonal (Klockmannite) crystal structure increased from 21.35 to 99.85 nm with the increase in irradiation time. At the same time, the microstrain and dislocation density decreased from 7.90 × 10-4 to 1.560 × 10-4 and 4.68 × 10-2 to 1.00 × 10-2 nm-2, respectively. Three Raman vibrational bands attributed to CuSe NPs have been identified in the Raman spectrum. Irradiation time was also seen to play a critical role in the NP optical band gap during the synthesis. The decrease in the optical band gap from 1.85 to 1.60 eV is attributed to the increase in the crystallite size when the irradiation time was increased. At 400 nm excitation wavelength, a strong orange emission centered at 610 nm was observed from the PL measurement. The PL intensity is found to increase with an increase in irradiation time, which is attributed to the improvement in crystallinity at higher irradiation time. Therefore, the results obtained in this study could be of great benefit in the field of photonics, solar cells, and optoelectronic applications.
    Matched MeSH terms: X-Ray Diffraction
  9. Tsiamis A, Diaz Sanchez F, Hartikainen N, Chung M, Mitra S, Lim YC, et al.
    ACS Omega, 2021 Apr 27;6(16):10568-10577.
    PMID: 34056211 DOI: 10.1021/acsomega.0c05823
    This paper presents a scalable method of developing ultrasensitive electrochemical biosensors. This is achieved by maximizing sensor conductivity through graphene wrapping of carbonized electrospun nanofibers. The effectiveness of the graphene wrap was determined visually by scanning electron microscopy and chemically by Fourier transform infrared spectroscopy, Raman spectroscopy, and X-ray diffraction. The sensing performance of different electrode samples was electrochemically characterized using cyclic voltammetry and electrochemical impedance spectroscopy, with the graphene-wrapped carbonized nanofiber electrode showing significantly improved performance. The graphene-wrapped carbonized nanofibers exhibited a relative conductivity of ∼14 times and an electroactive surface area of ∼2 times greater compared to the bare screen-printed carbon electrode despite experiencing inhibitive effects from the carbon glue used to bind the samples to the electrode. The results indicate potential for a highly conductive, inert sensing platform.
    Matched MeSH terms: X-Ray Diffraction
  10. Zainal-Abidin MH, Hayyan M, Ngoh GC, Wong WF
    ACS Omega, 2020 Jan 28;5(3):1656-1668.
    PMID: 32010840 DOI: 10.1021/acsomega.9b03709
    The application of graphene in the field of drug delivery has attracted massive interest among researchers. However, the high toxicity of graphene has been a drawback for its use in drug delivery. Therefore, to enhance the biocompatibility of graphene, a new route was developed using ternary natural deep eutectic solvents (DESs) as functionalizing agents, which have the capability to incorporate various functional groups and surface modifications. Physicochemical characterization analyses, including field emission scanning electron microscope, fourier-transform infrared spectroscopy, Raman spectroscopy, Brunauer-Emmett-Teller, X-ray diffraction, and energy dispersive X-ray, were used to verify the surface modifications introduced by the functionalization process. Doxorubicin was loaded onto the DES-functionalized graphene. The results exhibited significantly improved drug entrapment efficiency (EE) and drug loading capacity (DLC) compared with pristine graphene and oxidized graphene. Compared with unfunctionalized graphene, functionalization with DES choline chloride (ChCl):sucrose:water (4:1:4) resulted in the highest drug loading capacity (EE of 51.84% and DLC of 25.92%) followed by DES ChCl:glycerol:water (1:2:1) (EE of 51.04% and DLC of 25.52%). Following doxorubicin loading, graphene damaged human breast cancer cell line (MCF-7) through the generation of intracellular reactive oxygen species (>95%) and cell cycle disruption by increase in the cell population at S phase and G2/M phase. Thus, DESs represent promising green functionalizing agents for nanodrug carriers. To the best of our knowledge, this is the first time that DES-functionalized graphene has been used as a nanocarrier for doxorubicin, illustrating the potential application of DESs as functionalizing agents in drug delivery systems.
    Matched MeSH terms: X-Ray Diffraction
  11. Wong PM, Juan JC, Lai JC, Lim TH
    ACS Omega, 2020 Jun 16;5(23):13719-13728.
    PMID: 32566837 DOI: 10.1021/acsomega.0c00881
    Sub-10 nm indium metal nanoparticles (In NPs) stabilized on conductive carbon were reacted with silver nitrate in dark conditions in water at room temperature in a galvanic replacement manner to produce an indium hydroxide/silver/carbon nanocomposite (In(OH)3/Ag/C). The chosen carbon imparted colloidal stability, high surface area, and water dispersibility suitable for photodegradation of harmful dyes in water. The size and shape of indium hydroxide and silver nanoparticles produced were found to be 6.6 ± 0.9 nm, similar to that of the In NPs that were started with. The nanocomposite was characterized by transmission electron microscopy, energy dispersive X-ray spectroscopy, powder X-ray diffraction, and thermogravimetric analysis. The galvanic reaction between In NPs and silver nitrate was tracked with UV-vis spectroscopy in a control experiment without a carbon substrate to confirm that the reaction was indeed thermodynamically spontaneous as indicated by the positive electromotive force (EMF) of +1.14 V calculated for In/Ag+ redox couple. The photocatalytic performance of the nanocomposite was evaluated to be approximately 90% under UVC radiation when 10 ppm of methylene blue and 13 wt % of indium hydroxide/silver loading on carbon were used.
    Matched MeSH terms: X-Ray Diffraction
  12. Nor Aziah, B., Fatiha, I.
    ASM Science Journal, 2013;7(1):1-6.
    MyJurnal
    Transition metals play an important role in the growth of carbon nanotubes (CNTs). Series of unsupported hybrid catalysts consisting of Ni:Cu, Ni:Cr, and Ni:Mn doped with Nd catalyst, respectively were synthesized by impregnation method. The catalytic performance of the catalyst for the production of CNTs was measured in the pyrolysis process of hydrocarbon source by catalytic chemical vapour deposition method. Acetylene gas was used as the source of carbon in the pyrolysis process. The decomposition of acetylene was carried out at 700ºC. The bulk properties of the catalysts were investigated by X-ray diffraction. Field emission scanning electron microscopy and thermal analysis were used to observe the morphology and thermal stability of the as-synthesized CNTs, respectively. Hybrid catalyst of Ni:Mn/Nd and Ni:Cr/Nd in 3:1 atomic ratio gave high percentage of carbon yield which was assigned for the high production of CNTs with the mass of yield 18 times greater than the initial mass of the catalyst used.
    Matched MeSH terms: X-Ray Diffraction
  13. Teh, G.B., Wong, Y.C., Tilley, R.D.
    ASM Science Journal, 2014;8(1):21-28.
    MyJurnal
    Co(II)-Ti(IV)-substituted magnetoplumbite-type (M-type) barium ferrite nanoparticles were synthesized via the sol-gel technique employing ethylene glycol as the gel precursor. Structural and magnetic properties were characterised via X-ray diffraction (XRD), high resolution transmission electron microscopy and superconducting quantum interference device magnetometry. The particle sizes of the M-type BaCoXTiXFe12-2XO19 (0.2 ≤  ≤ 1.0) were found to be 900 Å – 1500 Å. The XRD results confirmed that the Co(II)-Ti(IV) substituted ferrites in the range of 0.2 ≤  ≤ 1.0 substitution had the M-type ferrite as the dominant phase. The hysteresis loss per-cycle decreased with increasing Co(II)-Ti(IV) substitution in M-type ferrites which showed reduced values in coercivity and remnant magnetisation with moderate effect on the saturation magnetisation.
    Matched MeSH terms: X-Ray Diffraction
  14. Kamarudin, K.S.N., Chieng, Y.Y., Hamdan, H., Mat, H.
    ASM Science Journal, 2010;4(1):29-40.
    MyJurnal
    Ordered microporous NaY zeolite and mesoporous copper oxide are high performance material as catalysts and adsorbents. The copper oxide-NaY zeolite modification in combination of their physicochemical properties could provide excellent opportunities for the creation of new gas adsorbents. In this study, modified NaY zeolite properties and methane adsorptive characteristics were investigated by dispersing copper oxide onto the NaY zeolite structure using the thermal dispersion method. The structures of the copper oxide modified zeolites were characterized by powder X-ray diffraction and Micromeritics ASAP 2000, while the methane adsorption characteristics were analyzed using a thermogravimetric analyzer. The results revealed that types of copper oxide, copper oxide loading concentration, calcination temperature and calcination time greatly affected the modified zeolite structure and gas methane adsorption characteristics.
    Matched MeSH terms: X-Ray Diffraction
  15. Osman, Z., Othman, L., Md Isa, K.B., Ahmad, A., Kamarulzaman, N.
    ASM Science Journal, 2010;4(1):55-61.
    MyJurnal
    In this study polymer electrolytes composed of poly(methyl methacrylate) (PMMA) as a host polymer and ethylene carbonate (EC) as a plasticizer complexed with different lithium salts, i.e. lithium tetrafluoroborate (LiBF4) and lithium triflate (LiCF3SO3) were prepared by the solution casting technique. The conductivities of the films were characterized by impedance spectroscopy. At room temperature, the highest conductivities were 4.07 × 10–7S cm–1 and 3.40 × 10–5 S cm–1 achieved, respectively from the films containing 30 wt% LiBF4 in the PMMA-EC-LiBF4 system and 35 wt% LiCF3SO3 in the PMMA-EC-LiCF3SO3 system. The conductivity-temperature dependence of the films seemed to obey the Arrhenius equation in which the ion transport in these materials was thermally assisted. Scanning electron microscopy analysis showed that the surface of PMMA-EC-LiCF3SO3 film was smooth and homogeneous, hence lithium ions could traverse through the PMMA-EC-LiCF3SO3 film more easily compared to the PMMA-EC-LiBF4 film. X-Ray diffraction studies revealed that complexation had occurred and the complexes formed were amorphous.
    Matched MeSH terms: X-Ray Diffraction
  16. Nur Ain, A.R., Mohd Sabri, M.G., Wan Rafizah, W.A., Nurul Azimah, M.A., Wan Nik, W.B.
    ASM Science Journal, 2018;11(101):56-67.
    MyJurnal
    Corrosion is a natural deterioration process that destructs metal surface. Metal of highly
    protected by passivation layer such as Stainless Steel 316L also undergoes pitting corrosion
    when continuously exposed to aggressive environment. To overcome this phenomenon, application
    of epoxy based coating with addition of zinc oxide- poly (3,4-ethylenedioxythiophene)
    doped with poly (styrene sulphonate) hybrid nanocomposite additive was introduced as
    paint/metal surface coating. The compatibility between these two materials as additive
    was studied by Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD),
    Field Emission Scanning Electron Microscopy/Energy-Dispersive X-ray spectroscopy (FESEM/EDX)
    and Transmission Electron Microscopy (TEM) analysis. The effect of nanocomposite
    wt.% in epoxy based coating with immersion duration in real environment on corrosion
    protection performance was analyzed through potentiodynamic polarization analysis. The
    main finding showed that addition of hybrid nanocomposite had increased corrosion protection
    yet enhanced corrosion process when excess additives was loaded into epoxy coating.
    Addition of 2 wt.% ZnO-PEDOT:PSS was found significantly provided optimum corrosion
    protection to stainless steel 316L as the corrosion rate for 0 day, 15 days and 30 days of
    immersion duration is 0.0022 mm/yr, 0.0004 mm/yr and 0.0015 mm/yr; respectively.
    Matched MeSH terms: X-Ray Diffraction
  17. Then LY, Chidan Kumar CS, Kwong HC, Win YF, Mah SH, Quah CK, et al.
    Acta Crystallogr E Crystallogr Commun, 2017 Jul 01;73(Pt 7):1087-1091.
    PMID: 28775889 DOI: 10.1107/S2056989017009422
    The compounds 2-(1-benzo-furan-2-yl)-2-oxoethyl 2-nitro-benzoate, C17H11NO6 (I), and 2-(1-benzo-furan-2-yl)-2-oxoethyl 2-amino-benzoate, C17H13NO4 (II), were synthesized under mild conditions. Their mol-ecular structures were characterized by both spectroscopic and single-crystal X-ray diffraction analysis. The mol-ecular conformations of both title compounds are generally similar. However, different ortho-substituted moieties at the phenyl ring of the two compounds cause deviations in the torsion angles between the carbonyl group and the attached phenyl ring. In compound (I), the ortho-nitro-phenyl ring is twisted away from the adjacent carbonyl group whereas in compound (II), the ortho-amino-phenyl ring is almost co-planar with the carbonyl group. In the crystal of compound (I), two C-H⋯O hydrogen bonds link the mol-ecules into chains propagating along the c-axis direction and the chains are inter-digitated, forming sheets parallel to [20-1]. Conversely, pairs of N-H⋯O hydrogen bonds in compound (II) link inversion-related mol-ecules into dimers, which are further extended by C-H⋯O hydrogen bonds into dimer chains. These chains are inter-connected by π-π inter-actions involving the furan rings, forming sheets parallel to the ac plane.
    Matched MeSH terms: X-Ray Diffraction
  18. Then LY, Chidan Kumar CS, Kwong HC, Win YF, Mah SH, Quah CK, et al.
    Acta Crystallogr E Crystallogr Commun, 2017 Jul 01;73(Pt 8):1227-1231.
    PMID: 28932442 DOI: 10.1107/S2056989017010556
    2-(Benzo-furan-2-yl)-2-oxoethyl 2-chloro-benzoate, C17H11ClO4 (I), and 2-(benzo-furan-2-yl)-2-oxoethyl 2-meth-oxy-benzoate, C18H14O5 (II), were synthesized under mild conditions. Their chemical and mol-ecular structures were analyzed by spectroscopic and single-crystal X-ray diffraction studies, respectively. These compounds possess different ortho-substituted functional groups on their phenyl rings, thus experiencing extra steric repulsion force within their mol-ecules as the substituent changes from 2-chloro (I) to 2-meth-oxy (II). The crystal packing of compound (I) depends on weak inter-molecular hydrogen bonds and π-π inter-actions. Mol-ecules are related by inversion into centrosymmetric dimers via C-H⋯O hydrogen bonds, and further strengthened by π-π inter-actions between furan rings. Conversely, mol-ecules in compound (II) are linked into alternating dimeric chains propagating along the [101] direction, which develop into a two-dimensional plate through extensive inter-molecular hydrogen bonds. These plates are further stabilized by π-π and C-H⋯π inter-actions.
    Matched MeSH terms: X-Ray Diffraction
  19. Khusaini MS, Rahman RN, Mohamad Ali MS, Leow TC, Basri M, Salleh AB
    PMID: 21393852 DOI: 10.1107/S1744309111002028
    An organic solvent-tolerant lipase from Bacillus sp. strain 42 was crystallized using the capillary-tube method. The purpose of studying this enzyme was in order to better understand its folding and to characterize its properties in organic solvents. By initially solving its structure in the native state, further studies on protein-solvent interactions could be performed. X-ray data were collected at 2.0 Å resolution using an in-house diffractometer. The estimated crystal dimensions were 0.09×0.19×0.08 mm. The crystal belonged to the monoclinic space group C2, with unit-cell parameters a=117.41, b=80.85, c=99.44 Å, β=96.40°.
    Matched MeSH terms: X-Ray Diffraction
  20. Nyon MP, Rice DW, Berrisford JM, Huang H, Moir AJ, Craven CJ, et al.
    PMID: 18540061 DOI: 10.1107/S1744309108012086
    Cutinase catalyzes the hydrolysis of water-soluble esters and long-chain triglycerides and belongs to the family of serine hydrolases. The enzyme is thought to represent an evolutionary link between the esterase and lipase families and has potential applications in a wide range of industrial hydrolytic processes, for which an understanding of the molecular basis of its substrate specificity is critical. Glomerella cingulata cutinase has been cloned and the protein has been overexpressed in Escherichia coli, purified and subsequently crystallized in a wide range of different crystal forms in the presence and absence of inhibitors. The best crystals are those of the apo cutinase, which diffract to beyond 1.6 A resolution and belong to space group P4(1)2(1)2 or P4(3)2(1)2. Crystals of cutinase with the inhibitors PETFP or E600 belong to space groups P2(1)2(1)2(1) and P2(1), respectively, and diffract to approximately 2.5 A resolution. All of the crystals are suitable for structural studies, which are currently ongoing.
    Matched MeSH terms: X-Ray Diffraction
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