2,501 research outputs found
Quarantined Cc-stretched Formic Acid: Molecular Work-out In (self) Isolation
No full textVibrational spectra of small molecules effectively probe the underlying potential energy hypersurface, which can be tested when combined with accurate anharmonic calculations.\footnote{P. R. Franke, J. F. Stanton, G. E. Douberly, \textit{J. Phys. Chem. A} \textbf{2021}, \textit{125}, 1301--1324; J. M. Bowman, T. Carrington, H.-D. Meyer, \textit{Mol. Phys.} \textbf{2008}, \textit{106}, 2145--2182.} Particularly suited for a performance test of quantum chemical gas phase calculations are spectra recorded in a supersonic expansion, as significant rotational cooling is achieved while the molecules or molecular clusters remain isolated in the gas phase. One of the smallest reference systems for such a benchmarking study is the formic acid monomer with its --torsional isomerism.\footnote{D. P. Tew, W. Mizukami, \textit{J. Phys. Chem. A} \textbf{2016}, \textit{120}, 9815--9828; F. Richter, P. Carbonni\`{e}re, \textit{J. Chem. Phys.} \textbf{2018}, \textit{148}, 064303; A. Nejad, E. L. Sibert III, \textit{J. Chem. Phys.} \textbf{2021}, \textit{154}, 064301.} Recently, new vibrational reference data on the stretching vibrations of all four H/D isotopologues of the higher-energy -conformer were provided the combination of Raman jet spectroscopy with thermal excitation.\footnote{A. Nejad , M. A. Suhm, K. A. E. Meyer, \textit{Phys. Chem. Chem. Phys.} \textbf{2020}, \textit{22}, 25492--25501.} Another very interesting carboxylic acid for such a study is the smallest acetylenic acid, HCC-COOH, whose - and -rotamers will be discussed in this contribution. Of particular interest are two almost isoenergetic -fundamentals of different symmetry which are shown to be a particularly useful benchmarking target, but also the dimers of the CC-stretched formic acid prove to be an insightful reference system for benchmarking.\footnote{K. A. E. Meyer, A. Nejad, \textit{Phys. Chem. Chem. Phys.} \textbf{2021}, \textit{23}, 17208--17223.
Azaritrombium raphanicum Saboori, Bagheri & Haddad Irani-nejad 2005
No full text<p> 114. <i>Dolichotrombium raphanicum</i> (Saboori, Bagheri & Haddad Irani-nejad, 2005): 50 in Saboori <i>et al</i>. (2005a).</p> <p> Original combination: <i>Azaritrombium raphanicum</i> Saboori, Bagheri & Haddad Irani-nejad, 2005.</p> <p> <b>Holotype larva</b> (ARS- 20042228 -1a), IRAN, TABRIZ, Coll. Mohammad Bagheri. AVAILABLE.</p> <p> <b>Paratype larvae</b> (ARS- 20042228 -1d, e, f, g), same data as holotype. AVAILABLE.</p>Published as part of <i>Saboori, Alireza & Shirvani, Zeinab, 2021, A checklist of Acari type specimens deposited in the Jalal Afshar Zoological Museum, Karaj, Iran, pp. 289-311 in Zootaxa 4949 (2)</i> on page 300, DOI: 10.11646/zootaxa.4949.2.4, <a href="http://zenodo.org/record/4636405">http://zenodo.org/record/4636405</a>
The Formic Acid Monomer: Extension Of The Vibrational Database And Rigorous Electronic And Nuclear Vibrational Structure Benchmarks
No full text\begin{wrapfigure}{r}{0pt}
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The vibrational spectroscopy of formic acid, F, has seen new and important experimental and theoretical impulses in the past six years.\footnote{%
(exp) K. Hull, T. Wells, B. E. Billinghurst, H. Bunn, P. L. Raston, \textit{AIP Adv.} \textbf{2019}, \textit{9}, 015021;
K. A. E. Meyer, M. A. Suhm, \textit{Chem. Sci.} \textbf{2019}, \textit{10}, 6285;
A. Nejad, M. A. Suhm, K. A. E. Meyer, \textit{Phys. Chem. Chem. Phys.} \textbf{2020}, \textit{22}, 25492.
(theo) D. P. Tew, W. Mizukami, \textit{J. Phys. Chem. A} \textbf{2016}, \textit{120}, 9815;
F. Richter, P. Carbonni\`{e}re, \textit{J. Chem. Phys.} \textbf{2018}, \textit{148}, 064303;
A. Aerts, P. Carbonni\`{e}re, F. Richter, A. Brown, \textit{J. Chem. Phys.} \textbf{2020}, \textit{152}, 024305;
A. Nejad, E. L. Sibert III, \textit{J. Chem. Phys.} \textbf{2021}, \textit{154}, 064301.%
}
In a combined experimental and theoretical approach, the vibrational database of F below 4000\,{\wn} is reviewed and extended to 189 band centres [300\% increase], including a plethora of highly-excited vibrational states, both torsional conformers, and several isotopologues [H, H, C, C, and O].\footnote{%
A. Nejad, PhD thesis, submitted (2022).%
}
Essentially, the vibrational characterisation of its skeletal modes below 3500\,{\wn} can be regarded as complete which is also an important stepping stone in understanding the complex vibrational dynamics of its cyclic dimer.\footnote{A. Nejad, K. A. E. Meyer, F. Kollipost, Z. Xue, M. A. Suhm , \textit{J. Chem. Phys.} \textbf{2021}, \textit{155}, 224301%
}
A new key insight is that the impact of the OH bend-torsion resonance [\nub{5} and 2\nub{9}] on the entire vibrational dynamics of \textit{trans}-HCOOH is more far-reaching than previously believed.
Beyond 3500\,{\wn}, which is also near the expected \textit{trans}\textit{cis} isomerisation threshold, this resonance polyad is indicated to play an important role in the perturbations of the OH stretching fundamental [\nub{1}].
In this contribution, new spectroscopic developments are summarised and promising future research directions for F are discussed. In particular, its importance and suitability for the purpose of benchmarking electronic and nuclear vibrational methodologies are highlighted
QuateXelero : an accelerated exact network motif detection algorithm
No full textFinding motifs in biological, social, technological, and other types of networks has become a widespread method to gain more knowledge about these networks’ structure and function. However, this task is very computationally demanding, because it is highly associated with the graph isomorphism which is an NP problem (not known to belong to P or NP-complete subsets yet). Accordingly, this research is endeavoring to decrease the need to call NAUTY isomorphism detection method, which is the most time-consuming step in many existing algorithms. The work provides an extremely fast motif detection algorithm called QuateXelero, which has a Quaternary Tree data structure in the heart. The proposed algorithm is based on the well-known ESU (FANMOD) motif detection algorithm. The results of experiments on some standard model networks approve the overal superiority of the proposed algorithm, namely QuateXelero, compared with two of the fastest existing algorithms, G-Tries and Kavosh. QuateXelero is especially fastest in constructing the central data structure of the algorithm from scratch based on the input network
Comparison of in-house and commercial real time-PCR based carbapenemase gene detection methods in Enterobacteriaceae and non-fermenting gram-negative bacterial isolates
No full textAbstract Background Carbapenemase-producing gram-negative bacteria are increasing globally and have been associated with outbreaks in hospital settings. Thus, the accurate detection of these bacteria in infections is mandatory for administering the adequate therapy and infection control measures. This study aimed to establish and evaluate a multiplex real-time PCR assay for the simultaneous detection of carbapenemase gene variants in gram-negative rods and to compare the performance with a commercial RT-PCR assay (Check-Direct CPE). Methods 116 carbapenem-resistant Enterobacteriaceae, Pseudomonas aeruginosa and Acinetobacter baumannii isolates were genotyped for carbapenemase genes by PCR and sequencing. The defined isolates were used for the validation of the in-house RT-PCR by use of designed primer pairs and probes. Results Among the carbapenem-resistant isolates the genes bla KPC, bla VIM, bla NDM or bla OXA were detected. Both RT-PCR assays detected all bla KPC, bla VIM and bla NDM in the isolates. The in-house RT-PCR detected 53 of 67 (79.0%) whereas the commercial assay detected only 29 (43.3%) of the OXA genes. The in-house sufficiently distinguished the most prevalent OXA types (23-like and 48-like) in the melting curve analysis and direct detection of the genes from positive blood culture vials. Conclusion The Check-Direct CPE and the in-house RT-PCR assay detected the carbapenem resistance from solid culture isolates. Moreover, the in-house assay enabled the identification of carbapenemase genes directly from positive blood-culture vials. However, we observed insufficient detection of various OXA genes in both assays. Nevertheless, the in-house RT-PCR detected the majority of the OXA type genes in Enterobacteriaceae and A. baumannii
Basiria khouzestanensis Eisvand & Nejad & Azimi 2019, n. sp.
No full text<i>Basiria khouzestanensis</i> n. sp. <p>Figs 1, 2</p> <p> <b>Description.</b> Measurements, see Table 1.</p> <p> <i>Female</i>. Body ventrally arcuate following heat fixation. Cuticle annuli 0.7–1.2 µm wide at mid-body. Lateral field with four incisures, 3.6–4.8 µm wide, occupying 28–30% of body diameter, with non-areolated bands. Lip region smooth and elevated, continuous with body contour, 2.4–3.1 µm high and 4–5.4 µm wide. Amphidial apertures oblique and slit-like. Stylet straight with rounded basal knobs, slightly posteriorly directed, 0.8–1.5 µm across. Dorsal pharyngeal gland orifice (DGO) 4–6 µm posterior to stylet knobs. Median bulb oval, 9–12 µm long and 4–6.6 µm wide, with a weakly developed valve; located at about the middle of the pharynx. Isthmus slender. Basal bulb short and almost pyriform to slightly cylindrical, 6–9.5 µm wide and 12–16.5 µm long. Cardia small. Excretory pore mostly at the level of anterior part of the pharyngeal bulb or rarely at the level of the beginning of the basal bulb, posterior to hemizonid. Nerve ring surrounding the middle part of the isthmus. Reproductive system monodelphic-prodelphic, composed of an outstretched ovary with oocytes arranged in a single row. Spermatheca non-offset, elongated, filled with rounded sperm, 18–36 µm long and 6.5–12 µm wide. Vulva a transverse slit lacking flaps or epiptygma. Vagina 6–7.8 µm long, about one half of body diameter. Post-vulval uterine sac (PUS) 70–77% of corresponding body width in length. Tail elongate-conoid, about equal to the vulva-anus distance, tail terminus variously shaped, mostly slightly rounded to pointed tip in some specimens with a broadly rounded to slightly clavate tip.</p> <p> <i>Male</i>. Less frequent than female and shorter. General morphology similar to that of female, except for character states associated with sexual differences. Testis single, outstretched; Spermatocytes arranged in a single row. Spicules tylenchoid, small and slightly ventrally arcuate. Gubernaculum simple, rod-shaped. Bursa adanal, simple, with smooth margins. Tail similar to that of the female.</p> <p> <b>Type host and locality.</b> Soil samples collected from the rhizosphere of orange (<i>Citrus sinensis</i> L.) in the vicinity of Baghmalek city in Khouzestan Province, GPS coordinates: 31° 32′ 21.5″ N, 49° 50′ ″ E, southwestern Iran.</p> <p> <b>Etymology.</b> The new species name refers to the province name where it was found.</p> <p> <b>Type material.</b> Holotype, 13 females and 8 males paratypes deposited at the nematology laboratory of the Department of Plant Protection, Shahid Chamran University of Ahvaz, Ahvaz, Iran. Two female and one male paratypes deposited at the Wageningen Nematode Collection (WaNeCo), Wageningen, The Netherlands (collection number: WT 3724).</p> <p> <b>Diagnosis and relationships.</b> <i>Basiria khouzestanensis</i> <b>n. sp.</b> is characterized by having short body length (430–635 µm), lateral fields composed of four incisures, with non areolated bands, cephalic region smooth and continuous with body contour, stylet 9–12.5 µm long, basal bulb short and pyriform to slightly cylindrical, V = 63.3 (58–65.5), spermatheca non-offset, tail elongate-conoid, tail tip with various shapes and males with 16.5 (15– 18) µm long spicules.</p> <p> Due to the median bulb located at about the middle of the pharynx and basal bulb pyriform to slightly cylindrical, the new species comes close to <i>B. babhi</i> Siddiqi, 1986, <i>B. brevia</i> (Sultana, 1980) Hashim, 1985, <i>B. graminophila</i> Siddiqi, 1959, <i>B. lauta</i> Randhawa, Khera & Khan, 1996 and <i>B. shahidi</i> Khan, 1982.</p> <p> Compared to <i>B. babhi</i>, the new species has a shorter body (430–635 <i>vs</i> 740–760 µm), lower <i>c</i> ratio (4.9–6.7 <i>vs</i> 8), lower <i>V</i> and <i>V</i> ŕatio (58–65.5 <i>vs</i> 77–78 and 75.1–80 <i>vs</i> 88–89, respectively), tail tip with various shapes (pointed tip and rounded to slightly clavate <i>vs</i> only broadly rounded terminus).</p> <p> Compared to <i>B. brevia</i>, the outer bands of the lateral fields in the new species are smooth (<i>vs</i> distinctly crenate). It also differs in longer body length (430–635 <i>vs</i> 390–420 µm), longer stylet and more posterior DGO (9– 12.5 <i>vs</i> 7.5–8.5 and 4–6 µm <i>vs</i> just behind the stylet base, respectively), basal bulb pyriform to slightly cylindrical (<i>vs</i> pyriform), longer tail (86–120 <i>vs</i> 71–74 µm) and male present (<i>vs</i> unknown).</p> <p> Compared to <i>B. graminophila</i>, the outer bands of the lateral fields in the new species are smooth (<i>vs</i> distinctly crenate), basal bulb pyriform to slightly cylindrical (<i>vs</i> pyriform) and there are remarkable differences in 28S rRNA gene sequences. There was only one record in GenBank for sequence of D2–D3 expansion segments of 28S rRNA gene for <i>B. graminophila</i>. Sequence variation between new species and <i>B. graminophila</i> were 24.6% (133 bp).</p> <p> Compared to <i>B. lauta</i>, the new species has basal bulb pyriform to slightly cylindrical (<i>vs</i> pyriform), higher <i>c</i> ratio (9.3–13.8 <i>vs</i> 5.8–6.6), more posterior DGO (4–6 <i>vs</i> 3.5 µm), tail tip with various shapes (pointed tip and rounded to slightly clavate <i>vs</i> only clavate terminus) and males present (<i>vs</i> unknown).</p> <p> Finally, the new species also resembles <i>B. shahidi</i>, but differs from it by the shorter tail (86–120 <i>vs</i> 134–140 µm), tail tip with various shapes (<i>vs</i> only pointed terminus), and in shorter spicule and gubernaculum lengths (15– 18 vs 21–24 and 3.8–5.5 vs 6–7 µm, respectively).</p> <p> <b>Molecular phylogenetic status.</b> Partial sequencing of the 28S rRNA gene (D2–D3 region) of the new species yielded a fragment of 683 nt. The result of a Blast search using this fragment revealed the highest similarity with three unidentified species of the genus <i>Basiria</i> (JQ004998, JQ004999 and JQ005000) with identities of 87%, 87% and 86%, respectively. A total of 42 isolates of Tylenchidae (ingroup members) and Aphelenchoididae Skarbilovich, 1974 (as outgroup taxa) were selected for LSU rDNA gene (D2–D3 region) phylogenetic analyses. This dataset comprises 822 total characters. The phylogenetic relationships between the new species and representatives of Tylenchidae, as inferred from the Bayesian inference (BI) analysis, are presented in Figure 3. The sequenced isolate from the present study is in boldface.</p> <p> All isolates of <i>Basiria</i> species formed one clade. The monophyly of this clade is highly supported (BPP = 0.99). The new species clusters in a subclade containing three unidentified species of the genus <i>Basiria</i> from Iran (JQ004998, JQ004999 and JQ005000) with high support (BPP = 1.00). <i>B. graminophila</i>, <i>B. gracilis</i> and one unidentified species of the genus <i>Basiria</i> (DQ077803), formed another subclade with high support (BPP = 1.00).</p>Published as part of <i>Eisvand, Payam, Nejad, Reza Farrokhi & Azimi, Sedighe, 2019, Description of Basiria khouzestanensis n. sp. (Nematoda: Tylenchidae) from Iran and its phylogenetic relationships with other species in the family, pp. 482-490 in Zootaxa 4563 (3)</i> on pages 483-487, DOI: 10.11646/zootaxa.4563.3.4, <a href="http://zenodo.org/record/2601410">http://zenodo.org/record/2601410</a>
I lembi V-Y nel trattamento delle perdite di sostanza della regione naso-geniena
No full textvengono presi in considerazioni i vantaggi che il lembo v-y con peduncolo sottocutaneo permette di ottenere nella regione naso-labio-geniena. del lembo vengono ricordati i principi su cui si basa e le modalità di scolpimento e trasferimento. alcuni casi clinici vengono riportati e illustrati a prova della bontà dei risultati che è possibile conseguire
Aculops seguieranae Irani-Nejad, Khanjani, Moghadam & de Lillo 2012
No full text<p> <b> <i>Aculops seguieranae</i> Irani-Nejad, Khanjani, Moghadam & de Lillo, 2012: 59</b> </p> <p> <b>—</b> Holotype, female Kandovan, Iran (37°47'31''N, 46°14'57''E).</p>Published as part of <i>LIU, DONG, YI, TIAN-CI, XU, YUN & ZHANG, ZHI-QIANG, 2013, new mite species described during 2007 to 2012 3663, pp. 1-102 in Zootaxa 3663 (1)</i> on page 40, DOI: 10.11646/zootaxa.3663.1.1, <a href="http://zenodo.org/record/5630595">http://zenodo.org/record/5630595</a>
Aceria cheiradeniae Lotfollahi, Irani-Nejad, Khanjani, Moghadam & de Lillo 2012
No full text<p> <b> <i>Aceria cheiradeniae</i> Lotfollahi, Irani-Nejad, Khanjani, Moghadam & de Lillo, 2012: 56</b> </p> <p> <b>—</b> Holotype female, Kandovan, Iran (37°47'31''N, 46°14'57''E).</p>Published as part of <i>LIU, DONG, YI, TIAN-CI, XU, YUN & ZHANG, ZHI-QIANG, 2013, new mite species described during 2007 to 2012 3663, pp. 1-102 in Zootaxa 3663 (1)</i> on page 40, DOI: 10.11646/zootaxa.3663.1.1, <a href="http://zenodo.org/record/5630595">http://zenodo.org/record/5630595</a>
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