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https://www.readbyqxmd.com/read/29337209/the-role-of-d-allo-isoleucine-in-the-deposition-of-the-anti-leishmania-peptide-bombinin-h4-as-revealed-by-31p-solid-state-nmr-vcd-spectroscopy-and-md-simulation
#1
Batsaikhan Mijiddorj, Shiho Kaneda, Hisako Sato, Yuki Kitahashi, Namsrai Javkhlantugs, Akira Naito, Kazuyoshi Ueda, Izuru Kawamura
Bombinin H4 is an antimicrobial peptide that was isolated from the toad Bombina variegata. Bombinin H family peptides are active against gram-positive, gram-negative bacteria, and fungi as well as the parasite Leishmania. Among them, bombinin H4 (H4), which contains d-allo-isoleucine (d-allo-Ile) as the second residue in its sequence, is the most active, and its l-isomer is bombinin H2 (H2). H4 has a significantly lower LC50 than H2 against Leishmania. However, the atomic-level mechanism of the membrane interaction and higher activity of H4 has not been clarified...
January 11, 2018: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/29315870/chiroptical-properties-of-2-2-bioxirane
#2
N Daugey, N De Rycke, T Brotin, T Buffeteau
The two enantiomers of 2,2'-bioxirane were synthesized, and their chiroptical properties were thoroughly investigated in various solvents by polarimetry, vibrational circular dichroism (VCD), and Raman optical activity (ROA). Density functional theory (DFT) calculations at the B3LYP/aug-cc-pVTZ level revealed the presence of three conformers (G+ , G- , and cis) with Gibbs populations of 51, 44, and 5% for the isolated molecule, respectively. The population ratios of the two main conformers were modified for solvents exhibiting higher dielectric constants (G- form decreases whereas G+ form increases)...
January 9, 2018: Chirality
https://www.readbyqxmd.com/read/29300876/impact-of-dengue-vaccination-on-serological-diagnosis-insights-from-phase-iii-dengue-vaccine-efficacy-trials
#3
Eric Plennevaux, Annick Moureau, José L Arredondo-García, Luis Villar, Punnee Pitisuttithum, Ngoc H Tran, Matthew Bonaparte, Danaya Chansinghakul, Diana L Coronel, Maïna L'Azou, R Leon Ochiai, Myew-Ling Toh, Fernando Noriega, Alain Bouckenooghe
Background: We previously reported that vaccination with the tetravalent dengue vaccine (CYD-TDV; Dengvaxia) may bias the diagnosis of dengue based on immunoglobulin M (IgM) and immunoglobulin G (IgG) assessments. Methods: We undertook a post hoc pooled analysis of febrile episodes that occurred during the active surveillance phase (the 25 months after the first study injection) of 2 pivotal phase III, placebo-controlled CYD-TDV efficacy studies that involved ≥31000 children aged 2-16 years across 10 countries in Asia and Latin America...
December 30, 2017: Clinical Infectious Diseases: An Official Publication of the Infectious Diseases Society of America
https://www.readbyqxmd.com/read/29278331/methodology-for-the-absolute-configuration-determination-of-epoxythymols-using-the-constituents-of-ageratina-glabrata
#4
Héctor M Arreaga-González, Julio C Pardo-Novoa, Rosa E Del Río, Gabriela Rodríguez-García, J Martín Torres-Valencia, J Jesús Manríquez-Torres, Carlos M Cerda-García-Rojas, Pedro Joseph-Nathan, Mario A Gómez-Hurtado
A methodology to determine the enantiomeric excess and the absolute configuration (AC) of natural epoxythymols was developed and tested using five constituents of Ageratina glabrata. The methodology is based on enantiomeric purity determination employing 1,1'-bi-2-naphthol (BINOL) as a chiral solvating agent combined with vibrational circular dichroism (VCD) measurements and calculations. The conformational searching included an extensive Monte Carlo protocol that considered the rotational barriers to cover the whole conformational spaces...
December 26, 2017: Journal of Natural Products
https://www.readbyqxmd.com/read/29244237/regional-susceptibility-in-vcd-spectra-to-dynamic-molecular-motions-the-case-of-a-benzyl-%C3%AE-hydroxysilane
#5
Yiyin Xia, Mark Koenis, Juan Collados, Pablo Ortiz, Syuzanna Harutyunyan, Luuk Visscher, Wybren Jan Buma, Paul Nicu
Experimental and theoretical studies of the vibrational circular dichroism (VCD) spectrum of 3-methyl-1-(methyldiphenlsilyl)-1-phenylbutan-1-ol, whose absolute configuration is key to elucidating the Brook rearrangement of tertiary benzylic-hydroxylsilanes, are presented. It is found that the entire OH-bending region in this spectrum -a region that provides important marker bands- cannot be reproduced at all by standard theoretical approaches even though other regions are well described. Using a novel approach to disentangle contributions to the rotational strength of these bands, internal coordinates are identfied that critically influence the appearance of this part of the spectrum...
December 15, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/29240981/sulfoxide-induced-homochiral-folding-of-o-opes-by-ag-i-templating-structure-and-chiroptical-properties
#6
Juan M Cuerva, Sandra Resa, Delia Miguel, Santiago Guisán-Ceinos, Giuseppe Mazzeo, Duane Choquesillo-Lazarte, Sergio Abbate, Luis Crovetto, Diego J Cárdenas, M Carmen Carreño, María Ribagorda, Giovanna Longhi, Antonio J Mota, Luis Álvarez de Cenfuegos
A new family of homochiral silver complexes based on carbophilic interactions with ortho-phenyleneethynylene (o-OPE) scaffolds containing up to two silver atoms is described. These compounds represent a unique class of complexes with helical chirality at the metal. Chiral induction is based on the inclusion of chiral sulfoxides which allow an efficient transfer of chirality to the helically folded o-OPE, leading to CPL and VCD active compounds. In the presence of Ag(I) cation carbophilic interactions dominate, promoting helical structures with a defined helicity...
December 14, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29238208/is-it-severe-asthma-or-asthma-with-severe-comorbidities
#7
Luisa Brussino, Paolo Solidoro, Giovanni Rolla
Severe asthma is defined as asthma that requires treatment with high-dose inhaled corticosteroids (ICSs) plus a second controller and/or systemic corticosteroids to prevent it from becoming uncontrolled or that remains uncontrolled despite this therapy. This definition has limitations: 1) it does not define any biological characteristic that distinguishes severe asthma from asthma in general and 2) it relies on the clinical interpretation of asthma symptoms that are not specific. Actually, wheezing, dyspnea, cough and chest tightness may be caused by the comorbidities (such as rhinosinusitis, obesity and vocal cord dysfunction [VCD]) which are associated with asthma...
2017: Journal of Asthma and Allergy
https://www.readbyqxmd.com/read/29209845/energy-efficiency-of-acetone-butanol-and-ethanol-abe-recovery-by-heat-integrated-distillation
#8
Victor Hugo Grisales Diaz, Gerard Olivar Tost
Acetone, butanol, and ethanol (ABE) is an alternative biofuel. However, the energy requirement of ABE recovery by distillation is considered elevated (> 15.2 MJ fuel/Kg-ABE), due to the low concentration of ABE from fermentation broths (between 15 and 30 g/l). In this work, to reduce the energy requirements of ABE recovery, four processes of heat-integrated distillation were proposed. The energy requirements and economic evaluations were performed using the fermentation broths of several biocatalysts...
December 5, 2017: Bioprocess and Biosystems Engineering
https://www.readbyqxmd.com/read/29207786/recurrent-vaginal-cuff-dehiscence-in-a-treated-case-of-carcinoma-cervix
#9
Sunesh Kumar, Seema Singhal, Yamini Kansal, Dayanand Sharma
Vaginal Cuff Dehiscence (VCD) is partial or total separation of anterior and posterior vaginal cuff layers. We report a case of recurrent vault cuff dehiscence in a patient of cervical carcinoma. A 60-year-old treated case of carcinoma cervix post surgery and radiotherapy was found to have vault dehiscence and intestinal prolapse second time during a routine speculum examination. She underwent an emergency laparotomy and closure of vault. Vaginal Cuff Dehiscence with Evisceration (VCDE) is a rare but potentially fatal complication following hysterectomy...
September 2017: Journal of Clinical and Diagnostic Research: JCDR
https://www.readbyqxmd.com/read/29201506/protective-role-of-resveratrol-on-testicular-germ-cells-in-mice-with-testicular-toxicity
#10
Fikriye Yasemin Özatik, Orhan Özatik, Semra Yiğitaslan, Çiğdem Çengelli Ünel, Kevser Erol
Objective: The aim of the present study was to investigate the possible beneficial effects of resveratrol in mice subjected to vinyl cyclohexene dieposide (VCD) -induced testicular toxicity. Material and methods: A total of thirty- six Swiss albino male mice aged 28-days were used in the present study. The study was composed of two stages where mice which received or did not receive VCD (320 mg/kg/day) were administered resveratrol. The animals were assigned into control and resveratrol-treated groups in the first stage and into groups of VCD- and VCD+resveratrol-treated groups in the second stage...
December 2017: Turkish Journal of Urology
https://www.readbyqxmd.com/read/29194547/neutralizing-antibody-correlates-analysis-of-tetravalent-dengue-vaccine-efficacy-trials-in-asia-and-latin-america
#11
Zoe Moodie, Michal Juraska, Ying Huang, Yingying Zhuang, Youyi Fong, Lindsay N Carpp, Steven G Self, Laurent Chambonneau, Robert Small, Nicholas Jackson, Fernando Noriega, Peter B Gilbert
Background: In the CYD14 and CYD15 Phase 3 trials of the CYD-TDV dengue vaccine, estimated vaccine efficacy (VE) against symptomatic, virologically-confirmed dengue (VCD) occurring between Months 13 and 25 was 56.5% and 60.8%, respectively. Methods: Neutralizing antibody titers to the four dengue serotypes in the CYD-TDV vaccine insert were measured at Month 13 in a randomly sampled immunogenicity sub-cohort and in all VCD cases through Month 25 (2848 vaccine, 1574 placebo) and studied for their association with VCD and with the level of VE to prevent VCD...
November 29, 2017: Journal of Infectious Diseases
https://www.readbyqxmd.com/read/29172127/enantiomeric-characterization-and-structure-elucidation-of-lh601a-using-vibrational-circular-dichroism-spectroscopy
#12
Jian Shen, Sadagopan Magesh, Lin Chen, Longqin Hu, Yanan He
LH601A is a novel non-reactive chiral molecule inhibiting Keap1-Nrf2 protein-protein interaction. The absolute configuration (AC) was independently determined in this study using vibrational circular dichroism (VCD) spectroscopy. Because of band overlapping and broadening in the IR spectrum, a direct VCD spectrum comparison method is devised without the conventional IR band alignment. Being an unbiased AC inquiry, all possible chiralities are evaluated based on the statistical analysis of VCD similarity, Sv...
November 21, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29170287/maternal-and-neonatal-outcomes-of-vaginal-breech-delivery-for-singleton-term-pregnancies-in-a-carefully-selected-cameroonian-population-a-cohort-study
#13
Julius Sama Dohbit, Pascal Foumane, Joel Noutakdie Tochie, Fadimatou Mamoudou, Mazou N Temgoua, Ronni Tankeu, Veronica Aletum, Emile Mboudou
BACKGROUND AND OBJECTIVES: Vaginal breech delivery (VBD) is known to be associated with more perinatal and maternal complications. Very few studies on the subject have been carried out in poor-resource settings. The aim of this study was to determine maternal and neonatal outcomes in carefully selected cases of VBD for singleton term pregnancies in a tertiary centre in Cameroon. DESIGN: A retrospective cohort study. SETTING: A tertiary hospital in Yaounde, Cameroon...
November 22, 2017: BMJ Open
https://www.readbyqxmd.com/read/29159330/taking-advantage-of-co-ii-induced-enhanced-vcd-for-the-fast-and-sensitive-determination-of-enantiomeric-excess
#14
Lorenzo Arrico, Gaetano Angelici, Lorenzo Di Bari
Co(ii) induces a large VCD signal enhancement, which overcomes the low sensitivity of VCD and opens new perspectives in quantitative VCD. We used a stereodynamic system, where the analyte determines the chirality of the Co(ii) coordination sphere. The strong VCD signals stand out the baseline, which allows for their rapid and accurate quantitation. This lends itself to the first general method for the ee determination of α-amino acids based on vibrational circular dichroism and constitutes a model for the design of sensitive quantitative assays based on VCD...
November 21, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/29110336/electronic-and-vibrational-exciton-coupling-in-oxidized-trianglimines
#15
Joanna Szymkowiak, Marcin Kwit
Readily available chiral trianglimine and their (poly)oxygenated congeners represent a unique class of macrocyclic rigid compounds optimal for testing electronic and vibrational circular dichroism exciton chirality methods. Electronic and vibrational circular dichroism spectra of such trianglimines are strongly affected by polar substituents in macrocycle skeletons. Double substitution by OH groups in each aromatic fragment of the macrocycle causes sign reversal of the exciton couplet in the region of the strongest UV absorption...
November 7, 2017: Chirality
https://www.readbyqxmd.com/read/29105840/stereochemical-analysis-of-%C3%AE-keto-sulfoxides-by-circular-dichroism
#16
Marcin Górecki, Maria Annunziata M Capozzi, Gianluigi Albano, Cosimo Cardellicchio, Lorenzo Di Bari, Gennaro Pescitelli
Three β-keto sulfoxides (1-3) were synthesized in enantiopure form and investigated by means of circular dichroism (CD) spectroscopy, both in electronic and vibrational range (ECD, VCD), in combination with quantum chemical calculations. For compound 2, the X-ray structure was available; thus, the ECD in the solid state was also considered to reveal the differences between the molecular species in both states. Despite the simplicity of all β-keto sulfoxides under investigation (29 atoms), reproducing even the major spectral VCD features failed for two compounds, making the use of VCD not ideal to assign their absolute configuration in a reliable way...
November 4, 2017: Chirality
https://www.readbyqxmd.com/read/29105324/-to-close-or-not-to-close-when-should-vascular-closure-devices-be-used-after-cardiac-catheterization-procedures
#17
EDITORIAL
Wassim Shatila, Zvonimir Krajcer
Vascular closure devices (VCD) appear to be safe when compared to manual compression or surgical closure. VCDs' main advantage seems to stem from lower time to hemostasis (TTH) and time to mobilization. In anticoagulated patients with 6-Fr femoral sheaths, the new Celt ACT VCD, which uses a stainless-steel permanent implant, seems to be safe and decreases TTH when compared to manual pressure.
November 1, 2017: Catheterization and Cardiovascular Interventions
https://www.readbyqxmd.com/read/29096352/vaginal-cuff-dehiscence-and-evisceration-11-years-after-a-radical-hysterectomy-a-case-report
#18
Yacine Ben Safta, Montassar Ghalleb, Aymen Baccari, Ghassen Hamdi El Kebir, Sami Daldoul, Sofiene Sayari, Mounir Ben Moussa
INTRODUCTION: Vaginal cuff dehiscence (VCD) and evisceration (VCDE) are rare but rather serious complications of hysterectomy procedures. We aimed to report a case of VCDE happening eleven years after the initial surgery and review a treatment protocol of this rare complication. CASE: A 68 years old Tunisian female patient In 2004, the patient underwent concomitant chemoradiation followed by total abdominal radical hysterectomy for a squamous cell carcinoma of the cervix...
October 28, 2017: International Journal of Surgery Case Reports
https://www.readbyqxmd.com/read/29083054/on-the-aggregation-of-bilirubinoids-in-solution-as-evidenced-by-vcd-and-ecd-spectroscopy-and-dft-calculations
#19
Simone Ghidinelli, Giovanna Longhi, Giuseppe Mazzeo, Sergio Abbate, Stefan E Boiadjiev, David A Lightner
Vibrational and electronic circular dichroism (VCD and ECD) spectra of 3 optically active bilirubin analogs with propionic acid groups replaced by (1) 1-(S)-methylpropyl groups, (2) 3-acetoxy-1-(S)-methylpropyl groups, and (3) 1-(S)-2-(R)-dimethyl-2-(methoxycarbonyl)ethyl groups have been recorded at different concentrations in chloroform. The aliphatic chains attached to C-8 and C-12 of the 3 chosen mesobilirubins were modified so as to possess no OH group. The variation of the VCD spectra with concentration is consistent with the formation of dimers at high concentration...
October 30, 2017: Chirality
https://www.readbyqxmd.com/read/29075736/stereochemical-effects-on-dynamics-in-two-component-systems-of-gelators-with-perfluoroalkyl-and-alkyl-chains-as-revealed-by-vibrational-circular-dichroism
#20
Hisako Sato, Tomoko Yajima, Akihiko Yamagishi
A mixture of chiral low-molecular weight gelators, (1R,2R)- or (1S,2S)-N,N'-diperfluoroheptanoyl-1,2-diaminocyclohexane (denoted as RR- or SS-CF7, respectively) and (1R,2R)- or (1S,2S)-N,N'-diheptanoyl-1,2-diaminocyclohexane (denoted as RR- or SS-CH7, respectively), was used as a two-component gelator in acetonitrile solvent. The process of gelation was investigated by time-step vibrational circular dichroism (VCD) spectroscopy. The method enabled us to study the dynamical behavior of CF7 and CH7 molecules independent of their characteristic vibrational bands...
October 27, 2017: Physical Chemistry Chemical Physics: PCCP
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