Неэмпирический анализ изотопических сдвигов и резонансных эффектов в инфракрасном спектре высокого разрешения фреона-22 (CHF-=SUB=-2-=/SUB=-Cl), обогащенного -=SUP=-13-=/SUP=-C

The IR transmittance spectrum of an isotopic mixture of chlorodifluoromethane (CHF2Cl, Freon-22) with a 33% fraction of 13C and a natural ratio of chlorine isotopes was measured in the frequency range 1400-740 cm–1 with a resolution of 0.001 cm–1 at a temperature of 20C. An ab initio calculation of the structure and sextic potential energy surface and surfaces of the components of the dipole moment has been carried out by the the electronic quantum-mechanical method of Möller-Plesset, MP2/cc-pVTZ. Then the potential was optimized by replacing the harmonic frequencies with the frequencies calculated by the electronic method of coupled clusters, CCSD(T)/aug-cc-pVQZ. The fundamental and combination frequencies were calculated using the operator perturbation theory of Van Vleck (CVPTn) of the second and fourth order (n=2,4). Resonance effects were modeled using an additional variational calculation in the basis up to fourfold VCI excitation (4). The average prediction error for the fundamental frequencies of the 12C isotopologues was ~1.5 cm–1. The achieved accuracy made it possible to reliably predict the isotopic frequency shifts of the 13C isotopologues. It is shown that the strong Fermi resonance ν4/2ν6 dominates in the 12C isotopologues and is practically absent in 13C. The literature assumption [Spectrochim. Acta A, 44: 553] about the splitting of ν1 (CH) due to the resonance ν1/ν2+ν7+ν9 is confirmed. The coefficients of the polyadic quantum number are determined. The analysis made it possible to carry out a preliminary identification of the centers of the vibrational-rotational bands of isotopologues 13CHF235Cl и 13CHF237Cl in the spectrum of the mixture in preparation for individual analyzes of the vibrational-rotational structures of individual vibrational transitions.

Schistosoma mansoni Adult Worm Protective and Diagnostic Proteins in n-Butanol Extracts Revealed by Proteomic Analysis

The S. mansoni adult worm n-butanol extract (Sm-AWBE) has been previously shown to contain specific S. mansoni antigens that have been used for immunodiagnosis of schistosomiasis in solid phase alkaline phosphatase immunoassay (APIA) and western blot (WB) analyses. Sm-AWBE was also used in immunoprotection studies against a fatal live-cercariae challenge in experimental mouse vaccination (~43% protection). The Sm-AWBE fraction was prepared by mixing adult worm membranous suspensions with aqueous-saturated n-butanol, centrifuging and recovering n-butanol-resistant proteins in the aqueous phase. Here we report a preliminary identification of Sm-AWBE protein components as revealed from a qualitative proteomic study after processing Sm-AWBE by 1D-gel electrophoresis, in-gel and in-solution tryptic digestions, and mass spectrometry analyses. We identified 33 proteins in Sm-AWBE, all previously known S. mansoni proteins and antigens; among them, immunomodulatory proteins and proteins mostly involved in host–parasite interactions. About 81.8% of the identified Sm-AWBE proteins are antigenic. STRING analysis showed a set of Sm-AWBE proteins configuring a small network of interactive proteins and a group of proteins without interactions. Functional groups of proteins included muscle contraction, antioxidant, GPI-anchored phosphoesterases, regulatory 14-3-3, various enzymes and stress proteins. The results widen the possibilities to design novel antigen combinations for better diagnostic and immunoprotective strategies for schistosomiasis control.

Identification of cinnabar existing in different objects using portable coupled XRF-XRD, laboratory-type XRD and micro-Raman spectroscopy: comparison of the techniques

Cinnabar (α-HgS) is a common mineral used in various fields. The identification of cinnabar can be achieved by classic mineralogical methods and instrumental methods. X-ray diffraction (XRD) is the most reliable instrumental method for identifying material phases, but the sampling process and the immovable instrument limit its wider application in the cultural heritage field. The occurrence of Assing S. p. A. Surface Monitor, a portable system integrating X-ray fluorescence (XRF) and XRD, provides researchers with a new solution. Raw mineral, polished gemstone, pigment powder and Chinese ink stick claimed to be composed of cinnabar were measured by the system as well as laboratory-type XRD and micro-Raman techniques in this study. The qualitative XRF results were applied to determining the elements existing in the samples and thus defining the range of possible phases. Patterns obtained were compared carefully with the characteristic lines to determine the most likely phases, while the pattern appearances were compared in order to recognize the different states of cinnabar and generalize the experience for identifying cinnabar by the system. The Raman spectra obtained were compared and analyzed in order to learn the best parameters and determine the real composition of each sample. The results indicate that the XRF detector is sensitive enough to distinguish cinnabar from another red pigment, minium (Pb3O4), without destructive preparation provided that the desired phases occupy a major content in the sample, while the laser micro-Raman is even better in application range and measurement speed but correct analysis of the spectra is highly dependent on experience and literatures. The portable coupled XRF-XRD system and the micro-Raman provide researchers with convenient and efficient options to preliminarily identify minerals like cinnabar, which is significantly meaningful to several research fields including mineralogy, heritage science, material science, etc. Article highlights Two efficient and non-destructive methods for the preliminary identification of minerals like cinnabar were developed. The optimum instrument parameters for the effective measurement of different cinnabar samples were given in detail. The study provides useful data for various fields including analytical science, material science, heritage science, etc.

A Method for Conducting Preliminary Analysis of the Nature and Context of Sport for Development and Peace Projects in Fieldwork Research: An Illustration With a Malagasy Non-Governmental Organization

More research on sport for development and peace (SDP) organizations is needed to better understand their actual contributions to the United Nations (UN) Sustainable Development Goals (SDGs). Yet, the unstable, restricted, or even risky contexts in which many non-governmental organizations (NGOs) and SDP agencies sometimes operate often leave researchers to face important challenges to develop effective or feasible methods to work with such organizations. This study aimed to address the ontological and epistemological questions about what should be known about a given context in an organization before setting off on fieldwork. We propose a methodology, based on an actantial model (AM), as a method to analyze the nature and context of a project, to assess the actors involved in the project, and to establish if the global cost (i.e., material, temporal, financial, and physical) for conducting fieldwork is realistic and feasible of all the parties involved in the potential project. To illustrate this process, we analyzed the nature and context of an SDP project in Madagascar as the first step for potential collaborative research. As researchers, we do not want to invest time and energy to build up a fully developed field research project with an NGO in a context where it would not be realistic or feasible to conduct such research. Actually in this context, developing a research protocol without an implementation strategy might not only be detrimental to the researchers, but also to the NGO itself, where resources are often limited. Accordingly, the results from this preliminary field research demonstrate that an AM is a relevant analytical tool for obtaining insights about the context, the actors, and their relationships within an NGO. In conclusion, this model might be a useful instrument for conducting an initial analysis for the preliminary identification of the necessary conditions for the construction of a sustainable empirical research partnership with a given SDP project.

743. Colonization with Extended-Spectrum Cephalosporin-Resistant Enterobacterales (ESCrE) in Healthcare and Community Settings in Botswana: An Antibiotic Resistance in Communities and Hospitals (ARCH) Study

Background Although ESCrE are a global challenge, data on ESCrE in low- and middle-income countries are limited. In particular, colonization data are critical for larger antibiotic resistance efforts. We characterized the colonization prevalence of ESCrE in various settings in Botswana. Methods This study was conducted in 3 hospitals and 6 clinics located in 3 districts in Botswana. In each hospital, we conducted surveillance of adult patients. Adult clinic patients were also randomly selected for participation. Finally, we enrolled community subjects by inviting each enrolled clinic subject to refer up to 3 adults. Each adult clinic or community subject was also allowed to refer their children. All subjects had rectal swabs obtained which were inoculated onto chromogenic media for preliminary identification of ESCrE. Final identification and susceptibility testing were performed using MALDI-TOF MS and VITEK-2, respectively. Genotyping was done for identification of extended-spectrum beta-lactamase (ESBL) genes. Results Enrollment occurred from 1/15/20-9/4/20 but paused from 4/2/20-5/21/20 due to a countrywide COVID lockdown. Of 5,088 subjects approached, 2,469 (49%) participated. Enrollment by subject type was: hospital – 469 (19%); clinic – 959 (39%); community adult – 477 (19%); and community child – 564 (23%). Of 2,469 subjects, the median (interquartile range) age was 32 years (19-44) and 1,783 (72%) were female. 759 (31%) subjects were colonized with at least one ESCrE; 130 subjects were colonized with multiple strains. E. coli (n=663) and K. pneumoniae (n=121) were most common. ESCrE colonization prevalence was 43% for hospital subjects, 31% for clinic subjects, 24% for adult community subjects, and 26% for child community subjects (p< 0.001)). ESCrE prevalence varied significantly across regions (Figure 1) and was significantly higher pre-lockdown vs post-lockdown (Figure 2). CTX-M was the most common ESBL gene (Figure 3). Figure 1. ESCrE Colonization - Study Sites Figure 2. ESCrE Colonization - Temporal Trends Figure 3. ESCrE Genotypic Analyses Conclusion ESCrE colonization was common in both healthcare and community settings in Botswana. Colonization prevalence varies by region and clinical setting and decreased following a countrywide lockdown. These findings provide important clues regarding potential drivers of ESCrE that might serve as targets for intervention. Disclosures Robert Gross, MD, MSCE, Pfizer (Other Financial or Material Support, Serve on DSMB for drug unrelated to HIV) Ebbing Lautenbach, MD, MPH, MSCE, Merck (Other Financial or Material Support, Member of Data and Safety Monitoring Board (DSMB))

733. Carbapenem-Resistant Enterobacterales (CRE) Colonization Prevalence in Botswana: an Antibiotic Resistance in Communities and Hospitals (ARCH) Study

Background Although CRE are a global threat, data in low- and middle-income countries are scarce. Colonization data are vital for informing antibiotic resistance strategies. We characterized the colonization prevalence of CRE in various settings in Botswana. Methods This study was conducted in 3 districts in Botswana (1 hospital and 2 clinics per district). Adult inpatients and clinic patients were randomly selected for enrollment. Community subjects were enrolled by inviting each enrolled clinic subject to refer up to 3 adults. Each adult clinic or community subject was also asked to refer their children. All subjects had rectal swabs obtained and inoculated on selective chromogenic media for preliminary identification of CRE. Final identification and susceptibility testing were performed using MALDI-TOF MS and VITEK-2, respectively. CRE underwent genotyping for carbapenemase genes. Results Subjects were enrolled from 1/15/20-9/4/20 with a pause from 4/2/20-5/21/20 due to a countrywide COVID lockdown. Of 5,088 subjects approached, 2,469 (49%) participated. Enrollment by subject type was: hospital – 469 (19%); clinic – 959 (39%); community adult – 477 (19%); and community child – 564 (23%). Of 2,469 subjects, the median (interquartile range) age was 32 years (19-44) and 1,783 (72%) were female. 42 (1.7%) subjects were colonized with at least one CRE; 10 subjects were colonized with multiple strains. E. coli (n=17), K. pneumoniae (n=20), and E. cloacae complex (n=11) were most common. CRE colonization prevalence was 6.8% for hospital subjects, 0.7% for clinic subjects, 0.2% for adult community subjects, and 0.5% for child community subjects (p< 0.001)). CRE prevalence varied across regions (Figure 1) and was significantly higher pre- vs post-lockdown (Figure 2). VIM and NDM were the most common carbapenemase genes (Figure 3). Figure 1. CRE Colonization - Study Sites Figure 2. CRE Colonization - Temporal Trends FIgure 3. CRE Genotypic Analyses Conclusion CRE colonization was significantly higher in hospital vs community settings in Botswana. CRE prevalence varied by region and decreased significantly following a countrywide lockdown. With CRE prevalence still modest, elucidating risk factors for CRE colonization holds promise in developing strategies to curb further emergence of CRE. Additional investigation of the CRE isolates without identified resistance genes is warranted. Disclosures Robert Gross, MD, MSCE, Pfizer (Other Financial or Material Support, Serve on DSMB for drug unrelated to HIV) Ebbing Lautenbach, MD, MPH, MSCE, Merck (Other Financial or Material Support, Member of Data and Safety Monitoring Board (DSMB))

FORMULASI SEDIAAN GEL PEEL-OFF EKSTRAK BUAH LIMPASU (Baccaurea lanceolate (Miq) Mull.Arg.) SEBAGAI ANTIBAKTERI

Skin is a protective layer of the body as well as an aesthetic factor to protect from exposure foreign substances and sunlight. Some problems that may arise on the skin include premature aging and acne. The use of natural ingredients as cosmetics is increasing, one of which is the limpasu fruit peel-off gel mask. This study aims to determine the antibacterial activity of the ethanol extract of limpasu fruit extract. The formulation was made with three concentrations of ethanol extract of limpasu fruit (Baccaurea lanceolate) 4, 6 and 8 grams. The formula was tested on E.coli. The yield of limpasu fruit extract was 30.49 grams or 7.81%. Results of preliminary identification of ethanol extract containing saponins and flavonoids. The results of the antibacterial test formulas 1 to 3 had inhibition zones 12, 53; 7.94 and 9.97 mm with a positive control of tetracycline which had an average inhibition zone of 28.87 mm. The peel-off gel formulation had antibacterial activity because the average inhibition zone was more than 6 mm.