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https://www.readbyqxmd.com/read/29778928/how-does-binuclear-zinc-amidohydrolase-fwda-work-in-the-initial-step-of-methanogenesis-from-formate-to-formyl-methanofuran
#1
Xue-Wei Zhang, Shi-Lu Chen
The initial step of methanogenesis is the fixation of CO2 to formyl-methanofuran (formyl-MFR) catalyzed by formyl-MFR dehydrogenase, which can be divided into two half reactions. Herein, the second half reaction catalyzed by FwdA (formyl-methanofuran dehydrogenase subunit A), i.e., from formate to formyl-methanofuran, has been investigated using density functional theory and a chemical model based on the X-ray crystal structure. The calculations indicate that, compared with other well-known di-zinc hydrolases, the FwdA reaction employs a reverse mechanism, including the nucleophilic attack of MFR amine on formate carbon leading to a tetrahedral gem-diolate intermediate, two steps of proton transfer from amine to formate moieties assisted by the Asp385, and the CO bond dissociation to form the formyl-MFR product...
May 11, 2018: Journal of Inorganic Biochemistry
https://www.readbyqxmd.com/read/29778876/genome-sequence-analysis-of-a-novel-bacillus-thuringiensis-strain-blb406-active-against-aedes-aegypti-larvae-a-novel-potential-bioinsecticide
#2
Raida Zribi Zghal, Kais Ghedira, Jihen Elleuch, Marwa Kharrat, Slim Tounsi
BLB406 is a novel isolate of Bacillus thuringiensis with a larvicidal activity against Aedes aegypti larvae. It displays original plasmidic and crystal protein patterns. The present work reported molecular and bioinformatic analyses for the genome sequence of BLB406 using MiSeq Illumina next-generation sequencing technology. The reads were assembled by Velvet tool. Using RAST program and PGAAP the genome of BLB406 strain was shown to contain 6297 genes corresponding to 5924 protein coding sequences. The BLB406 genome investigation with BtToxin_scanner program shows that this strain has an original and different combination of toxins compared to the published ones: five cry genes (cry11, cry22, cry2, cry60, cry64) and two distinct vegetative insecticidal vip4 genes...
May 17, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29778707/synthesis-spectroscopic-single-crystal-diffraction-and-potential-nonlinear-optical-properties-of-novel-pyrazoline-derivatives-interplay-of-experimental-and-computational-analyses
#3
Muhammad Nadeem Arshad, Abdulhadi Salih Birinji, Muhammad Khalid, Abdullah M Asiri, Khalid A Al-Amry, Faisal M S Aqlan, Ataualpa A C Braga
Pyrazoline are widely being studied due to their potential applications in chemical field. Herein, five pyrazolines compounds were synthesized and characterized spectroscopically using nuclear magnetic resonance techniques (1 H NMR &13 C NMR) to determine the structures of molecules along-with UV-Visible and infrared (FT-IR) studies for additional spectroscopic support in characterization of entitle synthesized molecules. Unit cells, specific space groups, bond lengths, bond angles and hydrogen bonding interactions were determined by the x-ray diffraction studies...
May 16, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29778646/the-fine-art-of-integral-membrane-protein-crystallisation
#4
REVIEW
James Birch, Danny Axford, James Foadi, Arne Meyer, Annette Eckardt, Yvonne Thielmann, Isabel Moraes
Integral membrane proteins are among the most fascinating and important biomolecules as they play a vital role in many biological functions. Knowledge of their atomic structures is fundamental to the understanding of their biochemical function and key in many drug discovery programs. However, over the years, structure determination of integral membrane proteins has proven to be far from trivial, hence they are underrepresented in the protein data bank. Low expression levels, insolubility and instability are just a few of the many hurdles one faces when studying these proteins...
May 17, 2018: Methods: a Companion to Methods in Enzymology
https://www.readbyqxmd.com/read/29778602/structure-guided-combinatorial-engineering-facilitates-affinity-and-specificity-optimization-of-anti-cd81-antibodies
#5
Bryce Nelson, Jarrett Adams, Andreas Kuglstatter, Zhijian Li, Seth F Harris, Yang Liu, Sandya Bohini, Han Ma, Klaus Klumpp, Junjun Gao, Sachdev S Sidhu
Hepatitis C viral infection is the major cause of chronic hepatitis that affects as many as 71 million people worldwide. Rather than target the rapidly shifting viruses and their numerous serotypes, four independent antibodies were made to target the host antigen CD81 and were shown to block Hepatitis C viral entry. The single-chain variable fragment of each antibody was crystallized in complex with the CD81 large extracellular loop (LEL) in order to guide affinity maturation of two distinct antibodies by phage display...
May 17, 2018: Journal of Molecular Biology
https://www.readbyqxmd.com/read/29778572/four-new-cinnamoyl-phloroglucinols-from-the-leaves-of-xanthostemon-chrysanthus
#6
Fen Liu, Wei-Jin Lu, Ni-Ping Li, Jiao-Wen Liu, Ju He, Wen-Cai Ye, Lei Wang
Four new cinnamoyl-phloroglucinols (1-4) were isolated from the leaves of Xanthostemon chrysanthus. Compounds 1 and 2 represent the first example of natural phloroglucinols with an oxazole unit. Their structures were elucidated on the basis of NMR spectroscopic data and single crystal X-ray diffraction. Compound 3 showed moderate cytotoxic activity against MDA-MB-231 and SGC-7901 cells with IC50 values of 25.26 ± 0.35 μM and 31.2 ± 0.94 μM, respectively.
May 17, 2018: Fitoterapia
https://www.readbyqxmd.com/read/29778571/phenylacetylene-bearing-3-4-seco-cleistanthane-diterpenoids-from-the-roots-of-phyllanthus-glaucus
#7
Zhaodi Wu, Yongji Lai, Qing Zhang, Shuangshuang Xie, Mi Zhang, Zhengxi Hu, Xiao-Nian Li, Jianping Wang, Zengwei Luo, Yongbo Xue, Qun Zhou, Hucheng Zhu, Yonghui Zhang
Three new cleistanthane diterpenoids, phyllanglins A-C (1-3), a new natural product, 4-acetyl-bergenin (4), and three known compounds (5-7) were isolated from the roots of Phyllanthus glaucus. Their structures were elucidated by extensive spectroscopic data analyses and single-crystal X-ray diffraction. Phyllanglins A-C were unusual cleistanthane diterpenoids with phenylacetylene moieties, and a plausible biogenetic pathway was proposed to discuss the origins of them. All of the isolates were evaluated for their anti-inflammatory activities...
May 17, 2018: Fitoterapia
https://www.readbyqxmd.com/read/29778329/the-kinetoplast-dna-of-the-australian-trypanosome-trypanosoma-copemani-shares-features-with-trypanosoma-cruzi-and-trypanosoma-lewisi
#8
Adriana Botero, Irit Kapeller, Crystal Cooper, Peta L Clode, Joseph Shlomai, R C Andrew Thompson
Kinetoplast DNA (kDNA) is the mitochondrial genome of trypanosomatids. It consists of a few dozen maxicircles and several thousand minicircles, all catenated topologically to form a two-dimensional DNA network. Minicircles are heterogeneous in size and sequence among species. They present one or several conserved regions that contain three highly conserved sequence blocks (CSBs). CSB-1 (10 bp sequence) and CSB-2 (8 bp sequence) present lower interspecies homology, while CSB-3 (12 bp sequence) or the Universal Minicircle Sequence (UMS) is conserved within most trypanosomatids...
May 17, 2018: International Journal for Parasitology
https://www.readbyqxmd.com/read/29778196/vaccination-with-killed-whole-cells-of-escherichia-coli-o157-h7-hha-mutant-emulsified-with-an-adjuvant-induced-vaccine-strain-specific-serum-antibodies-and-reduced-e-coli-o157-h7-fecal-shedding-in-cattle
#9
Vijay K Sharma, Robert G Schaut, Crystal L Loving
Escherichia coli O157:H7 (O157) can cause from a mild diarrheal illness to hemorrhagic colitis and hemolytic uremic syndrome in humans. Cattle are the primary reservoir for O157 and fecal shedding of O157 by these animals is a major risk factor in contamination of cattle hides and carcasses at slaughter. Vaccination is an important strategy to reduce fecal shedding of O157 in cattle. In this study, we evaluated the immunogenicity and efficacy of an inactivated vaccine strain of O157 formulated with an adjuvant...
June 2018: Veterinary Microbiology
https://www.readbyqxmd.com/read/29778177/effect-of-calcium-formate-as-an-additive-on-desulfurization-in-power-plants
#10
Zhenhua Li, Chunfang Xie, Jing Lv, Ruiguo Zhai
SO2 in flue gas needs to be eliminated to alleviate air pollution. As the quality of coal decreases and environmental standard requirements become more stringent, the high-efficiency desulfurization of flue gas faces more and more challenges. As an economical and environmentally friendly solution, the effect of calcium formate as an additive on desulfurization efficiency in the wet flue gas desulfurization (WFGD) process was studied for the first time. Improvement of the desulfurization efficiency was achieved with limited change in pH after calcium formate was added into the reactor, and it was found to work better than other additives tested...
May 2018: Journal of Environmental Sciences (China)
https://www.readbyqxmd.com/read/29778038/hierarchically-three-dimensional-3d-nanotubular-sea-urchin-shaped-iron-oxide-and-its-application-in-heavy-metal-removal-and-solar-induced-photocatalytic-degradation
#11
Soon Chang Lee, Yesul Jeong, Youn Jung Kim, Hyeran Kim, Hyun Uk Lee, Young-Chul Lee, Sang Moon Lee, Hae Jin Kim, Ha-Rim An, Myoung Gyu Ha, Go-Woon Lee, Young-Seak Lee, Gaehang Lee
In this study, hierarchically three-dimensional (3D) nanotubular sea urchin-shaped iron oxide nanostructures (3D-Fe2 O3 ) were synthesized by a facile and rapid ultrasound irradiation method. Additives, templates, inert gas atmosphere, pH regulation, and other complicated procedures were not required. Dense 3D-Fe2 O3 with a relatively large Brunauer-Emmett-Teller (BET) surface area of 129.4 m2 /g was synthesized within 23 min, and the BET surface area was further improved to 282.7 m2 /g by a post heat-treatment process...
April 23, 2018: Journal of Hazardous Materials
https://www.readbyqxmd.com/read/29778009/exploring-opioid-use-disorder-its-impact-and-treatment-among-individuals-experiencing-homelessness-as-part-of-a-family
#12
Avik Chatterjee, Eun Jin Yu, Lindsay Tishberg
BACKGROUND: Opioid Use Disorder (OUD) causes significant morbidity and mortality among people experiencing homelessness. We aimed to explore the unique way in which OUD impacts individuals experiencing homelessness as part of a family. METHODS: We conducted semi-structured interviews with adults experiencing OUD staying in Boston-area family shelters along with dependent children. We used Borkan's Immersion-Crystallization method to uncover themes from interview transcripts...
May 12, 2018: Drug and Alcohol Dependence
https://www.readbyqxmd.com/read/29777989/synthesis-antiproliferative-activity-and-mechanism-of-gallium-iii-thiosemicarbazone-complexes-as-potential-anti-breast-cancer-agents
#13
Jinxu Qi, Qian Yao, Kun Qian, Liang Tian, Zhen Cheng, Dongmei Yang, Yihong Wang
Five thiosemicarbazone ligands were synthesized and characterized by condensation with different aldehydes or ketones by 4-phenylthiosemicarbazone. The representative dichlorido[2-(Di-2-pyridinylmethylene)-Nphenylhydrazinecarbothioamide-N,N,S]-gallium(III) (Ga4) was characterized by X-ray single crystal diffraction, which was 1:1 ligand/Ga(III) complexes. The structure-activity relationship of these ligands and Ga (III) complexes have been investigated, and the results demonstrate that the formation of Ga (III) complexes have significant antiproliferative activity over the corresponding ligands...
May 14, 2018: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29777937/investigation-of-supramolecular-interaction-in-4-4-bipyridine-crystal-by-hydrostatic-pressure-spectroscopies
#14
Aisen Li, Ping Li, Yijia Geng, Shuping Xu, Houyu Zhang, Haining Cui, Weiqing Xu
The luminescence and structural changes of 4, 4'-bipyridine in the crystal and powder forms under the effect of high pressure applied by a diamond anvil cell has been investigated through the fluorescence and Raman spectroscopies. In its single crystal structure, the 4, 4'-bipyridine molecules are paralleled arranged with the identifiable CH⋯N and π⋯π interactions among molecules. However, in the powder form, these intermolecular interactions nearly diminish. The 4, 4'-bipyridine crystal shows the obvious bathochromic-shifting of the emission band, which is different from the powder sample that displays a fixed luminescent band during compression...
May 4, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29777933/novel-amidine-derivatives-of-benzanthrone-effect-of-bromine-atom-on-the-spectral-parameters
#15
E M Kirilova, A I Puckins, E Romanovska, M Fleisher, S V Belyakov
Several new substituted amidine derivatives of benzanthrone were synthesized by condensation reaction from 2-bromo-3-aminobenzo[de]anthracen-7-one and appropriate aromatic or aliphatic amides. The novel benzanthrone derivatives were characterized by TLC analysis, NMR, IR, MS, UV/Vis, and fluorescence spectroscopy. The obtained derivatives have yellow or orange fluorescence in organic solvents. The solvent effect on photophysical behaviors of these dyes was investigated, and the results showed that the introduction of a bromine atom causes a blue-shift of the absorption and emission bands and decrease in the fluorescent quantum yield in comparison with unbromated analogues...
May 9, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29777846/an-academic-tertiary-referral-center-s-experience-with-a-vascular-surgery-based-uterine-artery-embolization-program
#16
Naiem Nassiri, Adrian Balica, Nolan C Cirillo-Penn, Dustin Tyler Crystal, Gloria A Bachmann
OBJECTIVE: Despite growing endovascular experience within the vascular surgery community, some catheter-based interventions - such as uterine artery embolization (UAE) - remain outside the clinical scope of most vascular surgeons, owing in part to established referral patterns and limited awareness among referring colleagues. We present our experience with a vascular surgery-based, multidisciplinary UAE program at an academic tertiary referral center. METHODS: In a collaborative effort between vascular surgery and gynecology, a Pelvic Vascular Disease Program has been established to provide palliative, prophylactic, and therapeutic embolizations including, but not limited to, UAE...
May 16, 2018: Annals of Vascular Surgery
https://www.readbyqxmd.com/read/29777810/bacterial-cellulose-nanofibers-as-reinforce-in-edible-fish-myofibrillar-protein-nanocomposite-films
#17
Bahareh Shabanpour, Mohsen Kazemi, Seyed Mahdi Ojagh, Parastoo Pourashouri
Bacterial cellulose nanofibers (BCNF) were employed in order to improve various properties of fish myofibrillar protein (FMP) films of Silver carp. Three different levels (2, 4 and 6%, w/w) of the nanoparticles were added to the protein polymer substrate. In this regard, it became clear that 6% BCNF-containing nanocomposites had the highest tensile strength, which was about 49% better than control samples. The nanoparticles had positive impact on the physical properties; BCNF-containing films showed a reduction in water vapor permeability, swelling and solubility indexes...
May 16, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29777764/deformation-behavior-of-crystallized-mannitol-during-compression-using-a-rotary-tablet-press-simulator
#18
Nicolas Tarlier, Ian Soulairol, Noelia Sanchez-Ballester, Gilles Baylac, Adrien Aubert, Philippe Lefevre, Bernard Bataille, Tahmer Sharkawi
Mannitol is commonly used as a pharmaceutical excipient for tablets; the most widely used oral dosage form for drug delivery. For tableting, mannitol is provided in two different forms: native crystals and textured particles. In order to optimize its formulation, a good understanding of the mechanical behavior mechanism of mannitol is necessary. Thus, the aim of this study is to evaluate the deformation mechanism of native mannitol crystals presenting different particle sizes. Pharmaco-technical and compression studies were performed using mannitol with different mean diameters (160 µm, 50 µm and 25 µm)...
May 16, 2018: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/29777752/chemical-profile-and-pharmacological-effects-of-the-resin-and-essential-oil-from-bursera-slechtendalii-a-medicinal-copal-tree-of-southern-mexico
#19
Nemesio Villa-Ruano, Yesenia Pacheco-Hernández, Elvia Becerra-Martínez, José Alejo Zarate-Reyes, Ramiro Cruz-Duran
This study reports on the volatile profile and pharmacological activities of the essential oil and resin from Bursera slechtendalii, an aromatic medicinal tree commercialized in southern Mexico. The essential oil contained 25 volatiles including p-cymen-8-ol (25.4-35.7%), n-hexyl hexanoate (6.8-17.6%) and n-octyl hexanoate (7.6-14.8%), whereas the crystallized resin contained 14 volatiles, including n-octyl acetate (29.6-34.2%), limonene (15.8-18.7%) and n-octyl butyrate (12.6-17-6%). The inhalation of vapors from the resin and essential oil caused a significant anxiolytic-like effect (p < ...
May 16, 2018: Fitoterapia
https://www.readbyqxmd.com/read/29777258/development-of-a-two-stage-in-vitro-model-system-to-investigate-the-mineralization-mechanisms-involved-in-idiopathic-stone-formation-stage-1-biomimetic-randall-s-plaque-using-decellularized-porcine-kidneys
#20
Archana C Lovett, Saeed R Khan, Laurie B Gower
Idiopathic calcium oxalate (CaOx) stone formers form stones that are commonly attached to calcium phosphate (CaP) deposits in the renal tissue, known as Randall's plaques (RP). Plaques are suggested to originate in the renal tubular basement membrane, where they exhibit a morphology of concentrically laminated apatitic spherules, while in the interstitial regions, the collagen fibrils and vesicles become mineralized. We hypothesize that these minerals might form by non-classical crystallization mechanisms, such as via amorphous precursors, some of which might originate from a polymer-induced liquid-precursor (PILP) process...
May 18, 2018: Urolithiasis
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