Notes

Medical leveling regarding rib cracks is associated with improved upon survival but improved severe breathing stress syndrome.
The MST from TC diagnosis was 3.7 years for the MM group and 5.2 years for the SM group. For dogs with severe disease, the MST was 12 days for medically managed dogs and 1,338 days for dogs that underwent stent placement.

Multimodal medical management alleviated clinical signs for months to years in dogs with mild to moderate TC disease, but stent placement should be considered for dogs with severe disease.
Multimodal medical management alleviated clinical signs for months to years in dogs with mild to moderate TC disease, but stent placement should be considered for dogs with severe disease.
To evaluate the adherence of veterinary randomized controlled trial (RCT) abstracts to the recommendations on minimum abstract information included in the Consolidated Standards of Reporting Trials (CONSORT) checklist for RCT abstracts and to identify characteristics associated with the number of CONSORT items reported.

212 abstracts representing all RCTs published in 5 general veterinary journals in 2013 and 2018.

2 investigators independently assessed whether each of the 15 CONSORT checklist items for abstracts applicable to veterinary medicine was reported. Generalized linear mixed models were built to explore associations of selected variables with the total number of checklist items reported.

Abstracts included a median of 5 checklist items (range, 2 to 10 items). None met the recommendations for reporting participant recruitment and funding source. Less than 25% of abstracts met the recommendations for the title, participant eligibility criteria, primary outcome, randomization technique, blinding, numbers analyzed, primary outcome results, and harms to participants. The number of items reported was higher in abstracts of RCTs that included clinical patients (vs other participants; OR, 1.13; 95% CI, 1.05 to 1.22). The number of items reported did not significantly change over time.

Results suggested that the reporting quality of abstracts of RCTs in general veterinary journals was suboptimal per CONSORT recommendations. Because abstracts may be the only reference material available in certain settings, improvements are warranted to ensure readers have the information they need to properly interpret reported findings.
Results suggested that the reporting quality of abstracts of RCTs in general veterinary journals was suboptimal per CONSORT recommendations. Because abstracts may be the only reference material available in certain settings, improvements are warranted to ensure readers have the information they need to properly interpret reported findings.
To evaluate the utility of abdominal ultrasonography (AUS) to detect grossly evident masses in dogs with nontraumatic hemoabdomen.

94 client-owned dogs.

Electronic medical records from 2014 to 2017 were searched to identify dogs with nontraumatic hemoabdomen that had an AUS performed by a radiologist and subsequently underwent gross evaluation by surgery or necropsy. Ultrasonography, surgery, and histology reports were reviewed, and descriptive statistics were performed. Sensitivity of ultrasonography to detect grossly identifiable masses was calculated.

Differences were identified between AUS and surgical or necropsy findings for 51 of 94 (54%) dogs. Splenic masses were most commonly identified as the cause of hemoabdomen. Sensitivity of AUS was 87.4%, 37.3%, and 31.3% for masses in the spleen, liver, and mesentery, respectively. Five dogs had more lesions identified with AUS than were found on gross evaluation; 0 of 6 dogs with peritoneal diffuse nodular metastasis had lesions detected by AUS.

In this sample of dogs, the utility of AUS to detect grossly identifiable lesions in dogs with nontraumatic hemoabdomen was limited, with the highest and lowest sensitivity found for splenic masses and diffuse nodular metastasis, respectively.
In this sample of dogs, the utility of AUS to detect grossly identifiable lesions in dogs with nontraumatic hemoabdomen was limited, with the highest and lowest sensitivity found for splenic masses and diffuse nodular metastasis, respectively.
To evaluate complication rates for various types of mastectomy procedures, identify factors associated with an increased risk of complications, and determine the consequences of such complications.

140 female dogs that underwent 154 separate mastectomy procedures to treat mammary gland tumors.

Medical records of dogs in the Penn Vet Shelter Canine Mammary Tumor Program from July 2009 to March 2015 were reviewed. Data regarding signalment, tumor characteristics (ie, number and size, benign or malignant, and bilateral or unilateral), mastectomy type, anesthesia time, concurrent ovariohysterectomy or ovariectomy, surgeons' qualifications, antimicrobial administration after surgery, postoperative placement of surgical drains, and complications (seroma, abscess, dehiscence, or infection) were collected. Complications that required hospitalization were recorded. Fisher exact tests were used to evaluate associations between variables of interest and complications. Multivariable analysis was used to identify fa having postoperative complications.Background Endothelial dysfunction is considered to be involved in the pathogenesis of cerebral small vessel disease (CSVD). Endothelial progenitor cells are associated with endothelial dysfunction. The present study was designed to investigate the correlation between the populations of circulating CD34-positive cells and endothelial progenitor cells and CSVD burden. Methodology & results A total of 364 patients with confirmed diagnosis of CSVD were included in this prospective study. Multiple ordinal logistic regression analyses showed that subjects with higher CSVD burden had significantly decreased circulating CD34+ cell level (odds ratio [OR], 0.42; p = 0.034) and significantly increased levels of circulating CD34+CD133+CD309+ and CD34+CD133+ cells (OR 1.07, p = 0.031; OR 1.03, p = 0.001, respectively), compared with patients with lower CSVD burden. Conclusion The findings suggest that the levels of circulating CD34+ cells, CD34+CD133+CD309+ cells and CD34+CD133+ cells may be used as potential biomarkers to monitor the disease progression of CSVD.Background BT1718 is a novel bicyclic peptide anticancer drug targeting membrane type I matrix metalloproteinase to release its toxic payload DM1. A LC-MS/MS method was validated to quantify DM1 generated from BT1718 in a Phase I/IIa clinical trial. Materials & methods Plasma samples underwent a reduction reaction to artificially cleave BT1718 into DM1 and its bicycle components. An alkylation step was carried out to stabilize the reaction products, and plasma proteins extracted using acetonitrile. LC-MS/MS analysis utilized a C18 column and Agilent 6460 triple quadrupole mass spectrometer (Agilent, Cheshire, UK). Results The method was fully validated over a linear range of 200-50,000 ng/ml BT1718, with overall precision ≤10% and accuracy 89-102%. Conclusion A novel method for quantifying DM1 yielded from BT1718 has been validated and is now being utilized clinically.Trichoderma is a genus of filamentous fungi that play notable roles in stimulating plant growth after colonizing the root surface. However, the key proteins and molecular mechanisms governing this stimulation have not been completely elucidated. In this study, Trichoderma guizhouense NJAU 4742 was investigated in a hydroponic culture system after interacting with cucumber roots. The total proteins of the fungus were characterized, and the key metabolic pathways along with related genes were analyzed through proteomic and transcriptomic analyses. The roles played by the regulated proteins during the interaction between plants and NJAU 4742 were further examined. The intracellular/extracellular proteins from NJAU 4742 and extracellular proteins from the cucumbers were quantified, and the high-abundance proteins were determined which primarily involved in the shikimate pathway (tryptophan, tyrosine, and phenylalanine metabolism, auxin biosynthesis and secondary metabolite synthesis). Moreover, 15N-KNO3 labeling analysis indicated that NJAU 4742 had a strong ability to convert nitrogenous amino acids, nitrate, nitrile and amines into ammonia. The auxin synthesis and ammonification metabolism pathways of NJAU 4742 significantly contribute to plant growth. The results of this study demonstrated the crucial metabolic pathways involved in the interactions between Trichoderma and plants.Coleus forskohlii (Wild) Briq. is an aromatic plant in the Lamiaceae family cultivated primarily in India, Sri Lanka, Nepal and China (Yunnan Province). This herb is considered to have medicinal properties and the whole plant can be used to treat asthma, cancer and other diseases with remarkable efficacy. Due to the high medicinal and economic value of C. forskohlii, it has been introduced to Tongcheng (N29°18'12.24″, E113°53'59.36″), Hubei Province for cultivation. However, severe Fusarium wilt disease of C. forskohlii has been epidemic in Tongcheng since 2018 with a disease incidence of 5 to 30% in surveyed fields. This disease is characterized typically by root rot, vascular discoloration and leaf wilting of C. forskohlii (Fig 1), resulting in progressive plant death. Ten diseased plants were collected from the fields and the roots and stems were rinsed in 70% ethanol for 5 min and samples at the junction of disease and healthy tissues (0.5 × 0.5 cm2) were cutted and placed on potato dextrose agar (PDA) foR., et al. 2012. Mol. Plant. Pathol. 13 414. https//doi.org/10.1111/j.1364-3703.2011.00783.x. Geiser, D. M., et al. 2004. Eur. J. Plant Pathol. 110 473. https//doi.org/10.1023/BEJPP.0000032386.75915.a0. Leslie, J. F. and Summerell, B. A. 2006. The Fusarium Laboratory Manual. Blackwell Publishing, Oxford, U.K. Liu, Y. J., et al. 1999. Mol. Biol. Evol. 16 1799. https//doi.org/10.1093/oxfordjournals.molbev.a026092 Mahadevakumar, S. et al. 2018. Eur. J. Plant Pathol. 1511081. https//doi.org/10.1007/s10658-017-1415-2. Tamura, K., et al. 2013. Mol. Biol. Evol. 30 2725. https//doi.org/10.1093/molbev/msw054.Camelina sativa, an herbaceous annual plant in the family Brassicaceae, is especially well known for its oilseed crop that produce camelina oil (Hovsepyan et al. 2008). In April 2016, white blister rust disease on C. sativa were observed in a cultivated farmland with an incidence of about 60% in Xinyuan County (43°33'39.17"N, 83°14'54.04"E), Xinjiang, China. Symptoms appeared as light-yellow chlorotic spots on the upper surface of the leaves and white blister on the corresponding lower surface. Blister sori were white, oval to ellipsoidal, scattered or coalesce, and 1.8 to 4 mm in diameter. Two representative voucher specimens were deposited in the Mycological Herbarium of Tarim University (HMUT 2527 and HMUT 2528), Aral, China. Sporangiophores hyaline, clavate or cylindrical, straight to slightly curved, (23.7 to) 27.9 to 37.9 (to 42.1) (av. 31) × (7.9 to) 9.6 to 13.7 (to 15.1) (av. 11.4) μm (n = 30), thick-walled on their lower parts, bearing sporangia in chains. Primary sporangia were globose to subglobose non-inoculated plants were served as controls. Each plant was kept in a separate plastic humid chamber in a greenhouse with 25°C and 80% humidity for 15 days. Typical symptoms of white rust pustules developed on the inoculated plants were identical to that observed on the originally infected leaves. Control plants remained symptomless.. Based on morphological characteristics, molecular data, as well as pathogenicity tests, the pathogen on C. sativa was identified as Albugo koreana. A. koreana aslo is reported only on C. bursa-pastoris in Korea (Choi et al. 2007; Farr and Rossman 2020). To our knowledge, this is the first record of white rust disease caused by A. koreana on C. sativa, and the species is new to China. This report represents a new host plant association and a new geographical expansion for this species, presenting a potential threat to camelina production in northwest China.Lavender (Lavandula angustifolia Mill) is an ornamental plant and worldwidely grown for its aromatic and pharmacological qualities. In June 2020, the symptoms of blackleg disease on lavender plants were observed, with more than 50% incidence in Chaohu city (117°38'19.12″N, 31°47'18.94″W) of Anhui Province, China. The disease symptoms progressed from stem wilt and necrosis to prolonged necrosis and bending of leaves, and all infected lavender plants died eventually. Ten necrotic stem lesions werecollectedfrom ten independent plants for the isolation of pathogen. All samples were washed in 70% ethanol for 1 minute, rinsed twice in sterile distilled water and placed on water agar (WA) plates containing 30 mg/liter of kanamycin. All 16 fungal isolates were transferred onto potato dextrose agar (PDA) and incubated at 26°C for 5 days, and all fungal colonies were isolated consistently, which produced redish-gray mycelium at 26°C with a 12-h photoperiod on PDA media. They developed black pycnidia with abundant hyalid potted healthy L. angustifolia plants. The healthy plants were sprayed with sterilized water onto needling wounded stems served as negative control. Wilting and stem necrosis were observed 5 days afterinoculation and incubation in a growth chamber at 26°C, with a 12-h photoperiod. All fungal infected plants died after 10 days, while, the control plants remained healthy. The fungus was re-isolated from the lesions of the inoculated plants and verified. Based on morphological characteristics, sequence analysis and pathogenicity test, the pathogen was identified as E. sorghinum. The pathogen has been observed previously on many plants such as tea (Bao et al. 2019) and taro (Liu et al. 2018), in China. To our knowledge, this is the first report of E. sorghinum causing blackleg disease of lavender in China and worldwide.Mango (Mangifera indica L.) is one of the world's most significant economic fruit crops, and China is the second-largest producer of mango (Kuhn et al., 2017). Postharvest mango anthracnose is caused by Colletotrichum species and reduce the self-life of mature fruit (Wu et al., 2020). Colletotrichum species also cause postharvest anthracnose and fruit rot disease of Apple, Banana and Avocado (Khodadadi et al., 2020; Vieira et al., 2017; Sharma et al., 2017). In July 2019, mango fruits cv. 'Jin-Hwang' were observed at different fruit markets (39°48'42.1"N 116°20'17.0"E) of the Fengtai district, Beijing, China, exhibiting typical symptoms of anthracnose including brown to black lesions in different size (≤ 2 cm) with identified border on the mango fruit surface. Later, the lesions were coalesced and extensively cover the surface area of the fruit. The lesions were also restricted to peel the fruit and pathogen invaded in the fruit pulp. About 30% of mango fruits were affected by anthracnose disease. The marginspread on the fruit surface after 7 days post inoculation. The symptoms were similar to the symptoms on original fruit specimens. The re-isolated fungus was identified as C. alienum based on morphological and molecular analysis. Mango anthracnose disease caused by several Colletotrichum species has been reported previously on mango in China (Li et al., 2019). Liu et al. (2020) reported C. alienum as the causal organism of anthracnose disease on Aquilaria sinensis in China. C. alienum has been previously reported causing mango anthracnose disease in Mexico (Tovar-Pedraza et al., 2020) To our knowledge, this is the first report of C. alienum causing postharvest anthracnose of mango in China. The prevalence of C. alienum was 30% on mango fruit which reflects the importance of this pathogen as a potential problem of mango fruit in China.Sorghum (Sorghum bicolor (L.) Moench) is one of the top five cereal crops in the world, but the cultivation area in Korea is estimated to be about 3,000 ha (MIFFAF, 2012). In August 2014, anthracnose symptoms on sorghum leaves were observed in two fields in Yecheon (36.62°, 128.41°) and Youngwol (37.20°, 128.49°), South Korea. Symptoms on leaves were brownish red irregular lesions with yellow and tan borders. Some darkened conidiomata and setae were observed on the lesions of infected leaves. Approximately 20% of sorghum plants (cv. Hwanggeumchal) were affected in each field with an area of about 0.1 ha. Fragments of diseased infected leaves were surface sterilized with 1% NaOCl for 30sec. The pieces were placed on water agar and incubated at 25°C for 7days. Two isolates were obtained through single sporing and cultured on synthetic nutrient poor agar at 25°C for 14days. Conidia (n=30) of YN1458 isolate were falcate and measured 22.0 to 32.7 × 4.2 to 6.4 µm. Brown to black setae (n=20) had 1-3 septa, with tapserving morphological characteristics. So far, C. graminicola was known as the only causal agent pathogen of sorghum anthracnose in South Korea (KSPP, 2009). To our knowledge, this is the first report of C. sublineola causing anthracnose on sorghum in South Korea. Although sorghum is a small-scale crop in South Korea, it is necessary to study the biological and pathogenic characteristics of C. sublineola for effective control of sorghum anthracnose.In July 2019, leaf spot symptoms were observed on muskmelon (Cucumis melo L.) cv. Jackball-1 plants in an experimental field of 2.02 ha with a disease incidence of 30% (31°26'05.4"N 73°04'30.3"E) at the University of Agriculture, Faisalabad, Pakistan. Early symptoms consisted of small, circular, brown, necrotic spots 1 to 2 mm in size covering 10 to 30% of the leaf blade, which gradually enlarged and developed concentric rings. To identify the causal agent of the disease, a total of 20 symptomatic leaves were collected. Small pieces removed from the margin between healthy and diseased tissues were surface disinfected in 70% ethanol for 2 min, rinsed three times with sterile distilled water, plated on Potato dextrose agar and incubated at 25 ± 2°C with a 12-h photoperiod. Morphological observations were made on 7-day-old single-spore cultures. The colonies initially appeared white and then turned olive-green. All 20 fungal isolates were characterized by small, short-beaked, multicellular conidia. The conidia w97), however this study provides a detailed description of disease symptoms, morphological and molecular identity of the causal agent including completion of Koch's postulates. The disease could represent a threat for muskmelon crop in Pakistan due to its increasing cultivation and therefore warrants the need to develop disease management strategies.Blackleg and soft rot of potato (Solanum tuberosum) were monitored in the Central European part of Russia within a period of 2012- 2019. Symptoms included decay of tubers, blackening of stem vascular bundles, and partial yellowing of leaves. The disease causes serious potato yield losses in the field and storage. Pectobacterium parmentieri, P. brasiliense, P. versatile (syn. Ca. Pectobacterium maceratum), P. carotovorum, P. atrosepticum, Dickeya dianthicola, and D. solani are considered as main causal agents of soft rot and blackleg disease in Russia (Voronina et al. 2019, Ngoc Ha et al., 2019, Shirshikov et al. 2018, Kornev et al. 2012). Potato plant samples collected in commercial fields in routine plant health assay were used for bacteria isolation on crystal violet pectate agar (CVP) (Helias et al. 2012) as described previously (Voronina et al. 2019). Bacterial colonies producing pitting on CVP were re-isolated and purified on nutrient broth yeast extract medium. DNA of bacterial isolates was extracted, at report of blackleg and soft rot caused by P. polaris on potato in the Russian Federation. According to the data of commercial diagnostic laboratory "PhytoEngineering" (Moscow region), P. polaris occurred in 5% potato seed stocks harvested in 2017-2019 in the Moscow region. This finding may indicate that new Pectobacterium strains have adapted to a diverse environment, which is consistent with widespread distribution of commercial seed potatoes. The author(s) declare no conflict of interest. Funding This work was supported by Russian Science Foundation grant #16-16-00073.Grapevine is one of the most important fruit crops in Chile and trunk diseases reduce the productivity, quality, and longevity of the vineyards. A survey was conducted in ancient (> 50 years) vineyards of Cauquenes (35°57´14´´S 72°17´07´´W) and Itata valleys (36°38´13´´S 72°30´57´´W), located in the central area of Chile, during 2019. Trunks and cordons showing dieback and dark brown to black wood discoloration were collected from 50 to 200-year-old plants of six cultivars País, Moscatel, Torontel Amarilla, Carignan, Aliatica and Aligote. The bark was removed and 0.5-cm sections were cut from the edges of necrotic wood lesions. Subsequently, pieces were surface disinfected using 10% v/v sodium hypochlorite bleach (4.9% chlorine), plated on acidified quarter-strength potato dextrose agar (APDA) (25% PDA, acidified with 0.1% v/v 85% lactic acid) and incubated at 25°C, for 14 to 28 days. Hyphal tips were excised and transferred to PDA to obtain pure cultures. Along with the conidiomata and conidia produced, grow from symptomatic vines and compared to the ones used for inoculation, and found to be identical. Seimatosporium vitifusiforme was previously reported as a pathogen of Vitis vinifera in California, USA (Lawrence et al. 2018). Consequently, this is the second report of this fungus as a grapevine pathogen and the first one affecting Latin-American grapevines.
Sex hormones are known to have some influence on nasal functions, but their effect on the decongestive response of the nasal mucosa during menstrual cycle is still undetermined.

The aim of this study was to examine the nasal physiology, the interconnectedness of olfactory and respiratory nasal function and the decongestive response of the nasal mucosa during menstrual cycle.

This study included 101 healthy women aged 23.26 ± 4.81 years with a regular menstrual cycle. The nasal respiratory function and the decongestive response of the nasal mucosa were examined by rhinomanometry. Subjective sense of nasal obstruction and the subjective odor intensity were assessed by standardized questionnaires. The odor identification ability was assessed by Sniffin' Sticks test.

Statistically significant higher values of nasal resistance (0.311 ± 0.107 Pa/cm
/s) and NOSE score (11.893 ± 13.83) were observed in the ovulatory phase compared to the luteal (0.281 ± 0.084 Pa/cm
/s and 9.029 ± 11.12). An odor identificatignificantly higher in the luteal phase but odor intensity significantly higher in the ovulatory phase. The decongestive response of nasal mucosa was better in the ovulatory phase of the menstrual cycle.The experimental results [Kanematsu, W. Chem. Eng. Sci. 2020, 219, 115594] on the temporal variations of number concentrations of bulk nanobubbles (ultrafine bubbles) in contact with polymer materials are theoretically analyzed based on the dynamic equilibrium model of bulk nanobubbles partly covered with hydrophobic materials (impurities). It is suggested that bulk nanobubbles are adsorbed on a polymer surface by attractive hydrophobic interaction between a polymer surface and a hydrophobic material partly covering the bubble surface, overcoming the repulsive double-layer interaction. There are two mysteries. One is that the maximum surface number concentration of bulk nanobubbles of about 70 nm in diameter adsorbed on a hydrophobic polymer surface is more than an order of magnitude lower than the typical value for colloid particles of a similar or larger size. The other is that the experimental adsorption rate of bulk nanobubbles on hydrophobic polymer surface is several orders of magnitude lower than the theoretically estimated one. The mysteries are resolved if many of the bulk nanobubbles adsorbed on a hydrophobic polymer surface change to surface nanobubbles with a footprint diameter of about 1 μm.A chiral phosphoric acid-catalyzed enantioselective condensation of 2,2-disubstituted cyclobutane-1,3-diones with a primary amine is described. This reaction offered a mild and efficient protocol for constructing quaternary carbon-containing cyclobutanes in good to high yields and enantioselectivities. This reaction is the first catalytic desymmetrizing carbonyl-amine condensation reaction and also represents the first catalytic desymmetrizing reaction of prochiral cyclobutane-1,3-dione.RNAi is a biological process that utilizes small interfering RNA (siRNA) to prevent the translation of mRNA to protein. This mechanism could be beneficial in preventing the overexpression of proteins in cancer. However, the cellular delivery of siRNA has proven to be challenging due to its inherent negative charge and relative instability. Here, we designed a multicomponent delivery system composed of a specifically designed peptide (linear or cyclic fatty acyl peptide conjugates and hybrid cyclic/linear peptides) and several lipids (DOTAP, DOPE, cholesterol, and phosphatidylcholine) to form a nanoparticle, which we have termed as peptide lipid-associated nucleic acids (PLANAs). Five formulations were prepared (a formulation with no peptide, which was named lipid-associated nucleic acid or LANA, and PLANA formulations A-D) using a mini extruder to form uniform nanoparticles around 100 nm in size with a slightly positive charge (less than +10 mv). Formulations were evaluated for peptide incorporation, siRNA enof delivery tasks, which warrants further investigation of PLANAs in vivo.A α-iminol rearrangement triggered by Pd-catalyzed C-H addition of electronic-rich heteroarenes to cyclobutanone-derived O-acyl cyanohydrins was described, which provided a practical and efficient protocol for the preparation of functionalized α-amino cyclopentanones in an atom- and step-economic fashion. In addition, further synthetic transformations of products have also been demonstrated.Galvanic replacement between metals has received notable research interest for the synthesis of heterometallic nanostructures. The growth pattern of the nanostructures depends on several factors such as extent of lattice mismatch, adhesive interaction between the metals, cohesive forces of the individual metals, etc. Due to the difficulties in probing ultrafast kinetics of the galvanic replacement reaction and particle growth in solution, real-time mechanistic investigations are often limited. As a result, the growth mechanism of one metal on the surface of another metal at the nanoscale is poorly understood so far. In the present work, we could successfully probe the galvanic replacement of silver ions with nickel nanoparticles, stabilized in a polymer membrane, using two complementary methods, namely, small-angle X-ray scattering (SAXS) and radiolabeling, and the results are supported by density functional theory (DFT) computations. The silver-nickel system has been chosen for the present investigation becasilver clusters, leading to the formation of mixed metallic nanoparticles in the membrane. The surface of NiNPs has a heterogeneous effect on the silver nucleation pathway, which is evident from the reduced critical free energy barrier of nucleation (ΔGcrit). The present work establishes an original mechanistic pathway based on a sequential nucleation model for formation of mixed metallic nanoparticles by the galvanic replacement route, which opens up future possibilities for size-controlled synthesis in mixed systems.Monodispersed iron oxide nanoparticles (IONPs) coated with polystyrenesulfonate (PSS) and cetrimonium bromide (CTAB) have been used to stabilize magnetic Pickering emulsions (MPEs). Magnetophoresis of MPEs under the influence of a low gradient magnetic field (∇B less then 100 T/m) was investigated at the macroscopic and microscopic scale. At the macroscopic scale, for the case of pH 7, the MPE achieved a magnetophoretic velocity of 70.9 μm/s under the influence of ∇B at 93.8 T/m. The magnetic separation efficiency of the MPE at 90% was achieved within 30 min for pH 3, 7, and 10. At pH 10, the colloidal stability of the MPE was the lowest compared to that for pH 3 and 7. Thus, MPE at pH 10 required the shortest time for achieving the highest separation efficiency, as the MPE experienced cooperative magnetophoresis at alkaline pH. The creaming rate of the MPE at all conditions was still lower compared to magnetophoresis and was negligible in influencing its separation kinetics profiles. At the microscopic scale, the migration pathways of the MPEs (with diameters between 2.5 and 7.5 μm) undergoing magnetophoresis at ∇B ∼ 13.0 T/m were recorded by an optical microscope. From these experiments, and taking into consideration the MPE size distribution from the dynamic light scattering (DLS) measurement, we determined the averaged microscopic magnetophoretic velocity to be 7.8 ± 5.5 μm/s. By making noncooperative magnetophoresis assumptions (with negligible interactions between the MPEs along their migration pathways), the calculated velocity of individual MPEs was 9.8 μm/s. Such a value was within the percentage error of the experimental result of 7.8 ± 5.5 μm/s. This finding allows for an easy and quick estimation of the magnetophoretic velocity of MPEs at the microscale by using macroscopic separation kinetics data.The specific monitoring of serotonin (ST) has provoked massive interest in therapeutic and biological science since it has been recognized as the third most significant endogenous gastrointestinal neurotransmitter. Hence, there is a great need to develop a sensitive and low-cost sensing platform for the detection of a clinically relevant ST level in biological matrices. Herein, we develop a simple two-step approach for an ultrasensitive electrochemical (EC) sensor with the Cu2O metal oxide (MO)-incorporated CNT core that has been further deposited with a transitional amount of platinum nanoparticles (Pt NPs). We presented, for the first time, the deposition of Pt NPs on the (CNTs-Cu2O-CuO) nanopetal composite via the galvanic replacement method, where copper not only acts as a reductant but a sacrificial template as well. The electrocatalytic aptitude of the fabricated EC sensing platform has been assessed for the sensitive detection of ST as a proficient biomarker in early disease diagnostics. The synergy of improved active surface area, remarkable conductivity, polarization effect induced by Pt NPs on CNTs-Cu2O-CuO nanopetals, fast electron transfer, and mixed-valence states of copper boost up the redox processes at the electrode-analyte junction. The CNTs-Cu2O-CuO@Pt-modified electrode has unveiled outstanding electrocatalytic capabilities toward ST oxidation in terms of a low detection limit of 3 nM (S/N = 3), wide linear concentration range, reproducibility, and incredible durability. Owing to the amazing proficiency, the proposed EC sensor based on the CNTs-Cu2O-CuO@Pt heterostructure has been applied for ST detection in biotic fluids and real-time tracking of ST efflux released from various cell lines as early disease diagnostic approaches.Herein we present the preparation of two novel cyclam-based macrocycles (te1pyp and cb-te1pyp), bearing phosphonate-appended pyridine side arms for the coordination of copper(II) ions in the context of 64Cu PET imaging. The two ligands have been prepared through conventional protection-alkylation sequences on cyclam, and their coordination properties have been thoroughly investigated. The corresponding copper complexes have been fully characterized in the solid state (X-ray diffraction analysis) and in solution (EPR and UV-vis spectroscopies). Potentiometric studies combined with spectrometry have also allowed us to determine their thermodynamic stability constants, confirming their high affinity for copper(II) cations. The kinetic inertness of the complexes has been verified by acid-assisted dissociation experiments, enabling their use in 64Cu-PET imaging in mice for the first time. Indeed, the two ligands could be quantitatively radiolabeled under mild conditions, and the resulting 64Cu complexes have demonstrated excellent stability in serum. PET imaging demonstrated a set of features emerging from the combination of picolinates and phosphonate units high stability in vivo, fast clearance from the body via renal elimination, and most interestingly, very low fixation in the liver. This is in contrast with what was observed for monopicolinate cyclam (te1pa), which had a non-negligible accumulation in the liver, owing probably to its different charge and lipophilicity. These results thus pave the way for the use of such phosphonated pyridine chelators for in vivo64Cu-PET imaging.Because H2O2 is thermally unstable, it seems to be difficult to synthesize peroxides at elevated temperatures. We describe here the in situ generation of peroxide that is incorporated in a new uranyl peroxo complex, HT-UPO1, through the hydrothermal treatment of uranyl nitrate at 150 °C in the presence of organic ligands. In this novel process, a highly conjugated aromatic carboxylate linker, (E)-4-[2-(pyridin-4-yl)vinyl]benzoic acid (HPyVB), plays a crucial role by inducing the reduction of oxygen in air to form peroxide in situ and coordinating with uranyl to promote the preferred formation of thermally stable HT-UPO1. This work expands our knowledge on the speciation and chemistry of uranyl peroxide compounds and also sheds light on the possibility of their synthesis under more harsh conditions.Dynamical properties of proteins play an essential role in their function exertion. The elastic network model (ENM) is an effective and efficient tool in characterizing the intrinsic dynamical properties encoded in biomacromolecule structures. The Gaussian network model (GNM) and anisotropic network model (ANM) are the two often-used ENM models. Here, we introduce an equally weighted multiscale ENM (equally weighted mENM) based on the original mENM (denoted as mENM), in which fitting weights of Kirchhoff/Hessian matrixes in mENM are removed since they neglect the details of pairwise interactions. Then, we perform its comparison with the mENM, traditional ENM, and parameter-free ENM (pfENM) in reproducing dynamical properties for the six representative proteins whose molecular dynamics (MD) trajectories are available in http//mmb.pcb.ub.es/MoDEL/. In the results, for B-factor prediction, mENM performs best, while the equally weighted mENM performs also well, better than the traditional ENM and pfENM models. As to the dynamical cross-correlation map calculation, mENM performs worst, while the results produced from the equally weighted mENM and pfENM models are close to those from MD trajectories with the latter a little better than the former. Furthermore, encouragingly, the equally weighted mANM displays the best performance in capturing the functional motional modes, followed by pfANM and traditional ANM models, while the mANM fails in all the cases. This work is helpful for strengthening the understanding of the elastic network model and provides a valuable guide for researchers to utilize the model to explore protein dynamics.Active species were introduced into MOFs to prepare multifunctional fluorescent probes by a stepwise postsynthetic modulation strategy. First, two-dimensional HPU-16 (HPU = Henan Polytechnic University; HPU-16 = Zn(L)2(H2O); HL = 2-(5-pyridin-4-yl-5H-[1,2,4]triazol-3-yl)-pyrazine) was transformed into three-dimensional HPU-17 (Zn3(L)2(btc)2(H2O) n ) through a crystal dissolution-recrystallization process. Second, linker replacement was used to introduce -NH2 into the HPU-17 to generate functional NH 2 -HPU-17 via a single-crystal to single-crystal transformation. The functional amino groups caused NH 2 -HPU-17 to show a significant response to ClO-. Because of the interaction of amino groups and ClO-, the fluorescence of NH 2 -HPU-17 gradually changed from blue to yellow-green. More interestingly, NH 2 -HPU-17 could encapsulate Tb3+ and sensitize the visible-emitting characteristic fluorescence of Tb3+ in aqueous solution. Then, newly generated Tb 3+ @NH 2 -HPU-17 could serve as an effective probe for the determination of DPA. This work paves a new way for the design and modulation of ratiometric fluorescence probes for the selective and sensitive detection of special molecules.Deficits in insect-mediated pollination service undermine ecosystem biodiversity and function, human nutrition, and economic welfare. Global pollinator supply continues to decline, while production of pollination-dependent crops increases. Using publicly available price and production data and existing pollination field studies, we quantify economic dependence of United States crops on insect-mediated pollination service at the county level and update existing coefficients of insect dependence of sample crops when possible. Economic value dependent on pollination service totals 34.0 billion USD in 2012. Twenty percent of US counties produce 80% of total economic value attributable to insect pollinators. We compile county-level data and consider the spatial relationship between economic value dependent on insect-mediated pollination, region-specific forage suitability, and crop-specific agricultural areas within US landscapes. We identify vulnerable, highly dependent areas where habitat for wild pollinators has been reduced. These results can help inform future efforts to conserve and bolster managed and wild pollinator populations to ensure sustainable production of key agricultural crops.Herein, the design and development of a new one-pot and metal-free oxidative C-H activation/aza-Prins type cyclization of alkynylamines is reported. The scope of this method was demonstrated by the preparation of ten new pyrido[2,1-a]isoquinolines in moderate to high yields (38-92%). Furthermore, a mechanistic proposal for the alkyne aza-Prins cyclization is described based on DFT calculations.Electrolyte screening is well known for its detrimental impact on the sensitivity of liquid-gated field-effect transistor (FET) molecular sensors and is mostly described by the linearized Debye-Hückel model. However, charged and pH-sensitive FET sensing surfaces can limit the FET molecular sensitivity beyond the Debye-Hückel screening formalism. Pre-existing surface charges can lead to the breakdown of Debye-Hückel screening and induce enhanced nonlinear Poisson-Boltzmann screening. Moreover, the charging of the pH-sensitive surface groups interferes with biomolecule sensing resulting in a pH interference mechanism. With analytical equations and TCAD simulations, we highlight that the Debye-Hückel approximation can underestimate screening and overestimate FET molecular sensitivity by more than an order of magnitude. Screening strengthens significantly beyond Debye-Hückel in the proximity of even moderately charged surfaces and biomolecule charge densities (≥1 × 1012 q/cm2). We experimentally show the strong impact of both nonlinear screening and the pH interference effect on charge-based biomolecular sensing using a model system based on the covalent binding of single-stranded DNA on silicon FET sensors. The DNA signal increases from 24 mV at pH 7 to 96 mV at pH 3 in 1.5 mM PBS for a DNA density of 7 × 1012 DNA/cm2. Our model quantitatively explains the signal's pH dependence with roughly equal nonlinear screening and pH interference contributions. This work shows the importance of reducing the net charge and the pH sensitivity of the sensing surface to improve molecular sensing. Therefore, tailoring the gate dielectric and functional layer of FET sensors is a promising route to strong silicon FET molecular sensitivity boosts.Structural information is crucial for understanding catalytic mechanisms and to guide enzyme engineering efforts of biocatalysts, such as terpene cyclases. However, low sequence similarity can impede homology modeling, and inherent protein instability presents challenges for structural studies. We hypothesized that X-ray crystallography of engineered thermostable ancestral enzymes can enable access to reliable homology models of extant biocatalysts. We have applied this concept in concert with molecular modeling and enzymatic assays to understand the structure activity relationship of spiroviolene synthase, a class I terpene cyclase, aiming to engineer its specificity. Engineering a surface patch in the reconstructed ancestor afforded a template structure for generation of a high-confidence homology model of the extant enzyme. On the basis of structural considerations, we designed and crystallized ancestral variants with single residue exchanges that exhibited tailored substrate specificity and preserved thermostability. We show how the two single amino acid alterations identified in the ancestral scaffold can be transferred to the extant enzyme, conferring a specificity switch that impacts the extant enzyme's specificity for formation of the diterpene spiroviolene over formation of sesquiterpenes hedycaryol and farnesol by up to 25-fold. This study emphasizes the value of ancestral sequence reconstruction combined with enzyme engineering as a versatile tool in chemical biology.This study investigated the alleviative effects of l-arginine and l-lysine on the emulsifying properties and structural changes of myosin under hydroxyl radical (·OH) stress. The results showed that ·OH decreased the emulsifying activity index and emulsifying stability index but increased the creaming index and droplet size of a soybean oil-myosin emulsion (SOME). Confocal laser scanning microscopy demonstrated that ·OH caused larger and more inhomogeneous SOME droplets. l-Arginine and l-lysine effectively alleviated ·OH-induced destructive effects on the emulsifying properties of myosin. In addition, ·OH increased the extent of protein carbonylation and dityrosine formation, surface hydrophobicity, and β-sheet content, but decreased the tryptophan fluorescence intensity, solubility, total sulfhydryl, and α-helix content of myosin. Although l-lysine increased dityrosine fluorescence intensity, l-arginine and l-lysine effectively alleviated the aforementioned structural changes of myosin. Therefore, l-arginine and l-lysine could mitigate ·OH-induced structural changes of myosin, which enabled myosin to maintain its emulsifying capacity under oxidative stress.An implementation of the replica exchange with dynamical scaling (REDS) method in the commonly used molecular dynamics program GROMACS is presented. REDS is a replica exchange method that requires fewer replicas than conventional replica exchange while still providing data over a range of temperatures and can be used in either constant volume or constant pressure ensembles. Details for running REDS simulations are given, and an application to the human islet amyloid polypeptide (hIAPP) 11-25 fragment shows that the model efficiently samples conformational space.LCMS analysis of an extract of the New Zealand tunicate Synoicum kuranui showed evidence for numerous new rubrolides. Following a mass spectrometry-guided isolation procedure, new hydrated rubrolides V and W (5 and 6), along with previously reported rubrolide G (3), were isolated and characterized using MS and NMR. The anti-bacterial and cell cytotoxic activity of the compounds were compared to the potent anti-MRSA compound rubrolide A; hydration across the C-5/C-6 bond was shown to abrogate antibacterial activity.Polycyclic aromatic hydrocarbon (PAH) concentrations were measured in atmospheric samples collected at five sites near the shores of the North American Great Lakes once every 12 days from 1997 to 2018 (inclusive). These data were analyzed using multiple linear regression statistics to isolate the environmental variables controlling these PAH concentrations. About 74% of the variability is related to the number of people living and working within 25 km of the sampling site. Clearly, urban areas are major sources of PAH to the atmosphere. PAH concentrations at all sites lumped together are decreasing with halving times of about 25 years, and this factor represents about 1.5% of the variability. This is slower than the halving times for most banned compounds because PAH continue to be emitted directly into the atmosphere from many combustion sources. In the atmosphere, the concentrations of relatively volatile PAH maximize in July, but those of relatively nonvolatile PAH maximize in January. This seasonality factor represents about 2.5% of the variability. PAH concentrations at these Great Lakes sites tend to be elevated when the wind is coming out of the south-southeast, and this factor represents about 1.2% of the variability. PAH concentrations are lower when the wind speed is higher; this is a significant but small effect, representing only about 0.17% of the variability. The sum of these partial variabilities is about 80%, which suggests that the measurement and sampling errors are about 20%, which is a reasonable value. On the basis of two approaches, the range of atmospheric PAH transport from these sites is estimated to be on the order of 100-200 km. For these data, meteorology matters, but not by much.Despite an excellent track record, microbial drug discovery suffers from high rates of rediscovery. Better workflows for the rapid investigation of complex extracts are needed to increase throughput and to allow early prioritization of samples. In addition, systematic characterization of poorly explored strains is seldomly performed. Here, we report a metabolomic study of 72 isolates belonging to the rare actinomycete genus Planomonospora, using a workflow of commonly used open access tools to investigate its secondary metabolites. The results reveal a correlation of chemical diversity and strain phylogeny, with classes of metabolites exclusive to certain phylogroups. We were able to identify previously reported Planomonospora metabolites, including the ureylene-containing oligopeptide antipain, the thiopeptide siomycin including new congeners, and the ribosomally synthesized peptides sphaericin and lantibiotic 97518. In addition, we found that Planomonospora strains can produce the siderophore desferrioxamine or a salinichelin-like peptide. Analysis of the genomes of three newly sequenced strains led to the detection of 59 gene cluster families, of which three were connected to products found by LC-MS/MS profiling. This study demonstrates the value of metabolomic studies to investigate poorly explored taxa and provides a first picture of the biosynthetic capabilities of the genus Planomonospora.Molecular dynamics (MD) simulations are widely used to monitor time-resolved motions of biomacromolecules, although it often remains unknown how closely the conformational dynamics correspond to those occurring in real life. Here, we used a large set of open-access MD trajectories of phosphatidylcholine (PC) lipid bilayers to benchmark the conformational dynamics in several contemporary MD models (force fields) against nuclear magnetic resonance (NMR) data available in the literature effective correlation times and spin-lattice relaxation rates. We found none of the tested MD models to fully reproduce the conformational dynamics. That said, the dynamics in CHARMM36 and Slipids are more realistic than in the Amber Lipid14, OPLS-based MacRog, and GROMOS-based Berger force fields, whose sampling of the glycerol backbone conformations is too slow. The performance of CHARMM36 persists when cholesterol is added to the bilayer, and when the hydration level is reduced. However, for conformational dynamics of the PC headgroup, both with and without cholesterol, Slipids provides the most realistic description because CHARMM36 overestimates the relative weight of ∼1 ns processes in the headgroup dynamics. We stress that not a single new simulation was run for the present work. This demonstrates the worth of open-access MD trajectory databanks for the indispensable step of any serious MD study benchmarking the available force fields. We believe this proof of principle will inspire other novel applications of MD trajectory databanks and thus aid in developing biomolecular MD simulations into a true computational microscope-not only for lipid membranes but for all biomacromolecular systems.The BioChemical Library (BCL) is an academic open-source cheminformatics toolkit comprising ligand-based virtual high-throughput screening (vHTS) tools such as quantitative structure-activity/property relationship (QSAR/QSPR) modeling, small molecule flexible alignment, small molecule conformer generation, and more. Here, we expand the capabilities of the BCL to include structure-based virtual screening. We introduce two new score functions, BCL-AffinityNet and BCL-DockANNScore, based on novel distance-dependent signed protein-ligand atomic property correlations. Both metrics are conventional feed-forward dropout neural networks trained on the new descriptors. We demonstrate that BCL-AffinityNet is one of the top performing score functions on the comparative assessment of score functions 2016 affinity prediction and affinity ranking tasks. We also demonstrate that BCL-AffinityNet performs well on the CSAR-NRC HiQ I and II test sets. Furthermore, we demonstrate that BCL-DockANNScore is competitive with multiple state-of-the-art methods on the docking power and screening power tasks. Finally, we show how our models can be decomposed into human-interpretable pharmacophore maps to aid in hit/lead optimization. Altogether, our results expand the utility of the BCL for structure-based scoring to aid small molecule discovery and design. BCL-AffinityNet, BCL-DockANNScore, and the pharmacophore mapping application, as well as the remainder of the BCL cheminformatics toolkit, are freely available with an academic license at the BCL Commons site hosted on http//meilerlab.org/.Immunological methods to detect SARS-CoV-2 seroconversion in humans are important to track COVID-19 cases and the humoral response to SARS-CoV-2 infections and immunization to future vaccines. The aim of this work was to develop a simple chromogenic magnetic bead-based immunoassay which allows rapid, inexpensive, and quantitative detection of human antibodies against SARS-CoV-2 in serum, plasma, or blood. Recombinant 6xHis-tagged SARS-CoV-2 Nucleocapsid protein was mobilized on the surface of Ni2+ magnetic beads and challenged with serum or blood samples obtained from controls or COVID-19 cases. The beads were washed, incubated with anti-human IgG-HPR conjugate, and immersed into a solution containing a chromogenic HPR substrate. Bead transfer and homogenization between solutions was aided by a simple low-cost device. The method was validated by two independent laboratories, and the performance to detect SARS-CoV-2 seroconversion in humans was in the same range as obtained using the gold standard immunoassays ELISA and Luminex, though requiring only a fraction of consumables, instrumentation, time to deliver results, and volume of sample.
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