bluuebunny/crossref_metadata_2025 huggingface dataset:
Antibiogram profile and virulence signatures of Pseudomonas aeruginosa isolates recovered from selected agrestic hospital effluents
Authors: Mapipa Q. , Digban T. O. , Nnolim N. E. , Nwodo U. U.
Published: June 2021

Hospital wastewater (HWW) harbours diverse microbial species and a miscellany of genome that would facilitate the emergence of novel pathogen upon genome integration that manifests novel traits in infectious pathogens. The study aimed to determine the antibiogram, and virulence signatures of Pseudomonas aeruginosa (P. aeruginosa) recovered from selected agrestic hospital effluents in Eastern Cape, South Africa. Thirty-six (36) wastewater samples were collected from selected hospital drains between February 2018 and April 2018, processed and analyzed by culture-dependent methods for the isolation of P. aeruginosa. The identity confirmation of isolates was achieved by amplification of oprl and oprL genes. Antibiogram was done using standard disk diffusion technique of Kirby–Bauer as approved by CLSI 2018 guidelines. Virulence signatures (lasA, lasB, toxA, popB) among isolates were analysed using polymerase chain reaction. A total of 54 P. aeruginosa isolates were confirmed by amplification of oprl and oprL genes in the hospital wastewater effluent samples. The isolates showed a 100% susceptibility to gentamicin, amikacin and imipenem antimicrobial agents. Ceftazidime recorded the most resistance (63%) against the isolates studied. Other antibiotics had a resistance range of 7% and 35%. The MAR index among the isolates revealed a range of 0.23 and 0.38. ToxA virulence gene was detected in all isolates while popB, lasB, lasA were detected in 82%, 75% and 54% of the isolates. This study reveals P. aeruginosa isolates with virulence traits and some strains showing multiple antibiotic resistance. The multiple antibiotic resistance index (MARI) of ≥ 0.2 indicates that the some isolates may have emerged from high-risk sources, thus projecting a risk to public health. However, with the high sensitivity pattern observed among the studied isolates, most of the antibiotics used in the susceptibility tests are not at peril. Hence, the use of these antibiotics is encouraged for treatment of infection attributed to P. aeruginosa. It is also pertinent to initiate strict control and rigid antibiotics therapeutic policy with surveillance programmes for multidrug-resistant pathogens to forestall the development and transmission of resistance traits in the pathogens.
Evolution of KIPPIS as a versatile platform for evaluating intracellularly functional peptide aptamers
Authors: Kashima Daiki , Kawahara Masahiro
Published: June 2021

Chimeric proteins have been widely used to evaluate intracellular protein–protein interactions (PPIs) in living cells with various readouts. By combining an interleukin-3-dependent murine cells and chimeric proteins containing a receptor tyrosine kinase c-kit, we previously established a c-kit-based PPI screening (KIPPIS) system to evaluate and select protein binders. In the KIPPIS components, proteins of interest are connected with a chemically inducible helper module and the intracellular domain of the growth-signaling receptor c-kit, which detects PPIs based on cell proliferation as a readout. In this system, proteins of interest can be incorporated into chimeric proteins without any scaffold proteins, which would be advantageous for evaluating interaction between small peptides/domains. To prove this superiority, we apply KIPPIS to 6 peptide aptamer–polypeptide pairs, which are derived from endogenous, synthetic, and viral proteins. Consequently, all of the 6 peptide aptamer–polypeptide interactions are successfully detected by cell proliferation. The detection sensitivity can be modulated in a helper ligand-dependent manner. The assay results of KIPPIS correlate with the activation levels of Src, which is located downstream of c-kit-mediated signal transduction. Control experiments reveal that KIPPIS clearly discriminates interacting aptamers from non-interacting ones. Thus, KIPPIS proves to be a versatile platform for evaluating the binding properties of peptide aptamers.
Electrophysiological evidence for internalized representations of canonical finger-number gestures and their facilitating effects on adults’ math verification performance
Authors: van den Berg Fabian C. G. , de Weerd Peter , Jonkman Lisa M.
Published: June 2021

Fingers facilitate number learning and arithmetic processing in early childhood. The current study investigated whether images of early-learned, culturally-typical (canonical), finger montring patterns presenting smaller (2,3,4) or larger (7,8,9) quantities still facilitate adults’ performance and neural processing in a math verification task. Twenty-eight adults verified solutions to simple addition problems that were shown in the form of canonical or non-canonical finger-number montring patterns while measuring Event Related Potentials (ERPs). Results showed more accurate and faster sum verification when sum solutions were shown by canonical (versus non-canonical) finger patterns. Canonical finger montring patterns 2–4 led to faster responses independent of whether they presented correct or incorrect sum solutions and elicited an enhanced early right-parietal P2p response, whereas canonical configurations 7–9 only facilitated performance in correct sum solution trials without evoking P2p effects. The later central-parietal P3 was enhanced to all canonical finger patterns irrespective of numerical range. These combined results provide behavioral and brain evidence for canonical cardinal finger patterns still having facilitating effects on adults’ number processing. They further suggest that finger montring configurations of numbers 2–4 have stronger internalized associations with other magnitude representations, possibly established through their mediating role in the developmental phase in which children acquire the numerical meaning of the first four number symbols.
The impact of acute diarrhea on the coagulation status of patients with vitamin K antagonists
Authors: Schweinfurth Johannes , Bauer Alexander , Bauer Frederic , Seibert Felix Sebastian , Rohn Benjamin , Seidel Maximilian , Bertram Sebastian , Stervbo Ulrik , Babel Nina , Westhoff Timm Henning
Published: June 2021

Acute diarrhea is associated with a reduced absorption of both vitamin K antagonists (VKA) and vitamin K itself. To date, the net effect on the coagulation status of subjects with VKA remains elusive. We performed a systematic retrospective single-center analysis using an electronic data extraction approach to identify subjects with plasmatic anticoagulation (either VKA or direct oral anticoagulant (DOAC)) and diarrhea in a German University Hospital over a period of eight years. Acute diarrhea and complete documentation of coagulation status on admission were defined as inclusion criteria, anticoagulation other than VKA/DOAC and obvious inadherence as exclusion criteria. Subjects with VKA/DOAC admitted for hypertension served as control group. Data extraction yielded 356 subjects with gastrointestinal diagnoses and 198 hypertensive subjects, 55 and 83 of whom fulfilled all in- and exclusion criteria. INR values of subjects with VKA were significantly higher in subjects with diarrhea than in hypertensive controls (4.3 ± 3.7 vs. 2.3 ± 0.7, p < 0.001). The distribution of subjects having INR values lower, higher or within the target range differed significantly among groups with a substantially higher prevalence of overanticoagulation in the diarrhea group (46.4% vs. 14.3%, p < 0.001). In a multinomial logistic regression model, acute diarrhea was significantly associated with overanticoagulation (odds ratio 7.2, 95% confidence interval 2.163–23.921; p < 0.001), whereas age, sex, creatinine, and indication of anticoagulation were not (p > 0.05 each). Acute diarrhea is associated with a highly increased risk for overanticoagulation in patients with VKA. Thus, gastroenteritis necessitates a close monitoring of INR in order to identify subjects needing a temporary pause of VKA therapy.
Initial growth rates of malware epidemics fail to predict their reach
Authors: Muchnik Lev , Yom-Tov Elad , Levy Nir , Rubin Amir , Louzoun Yoram
Published: June 2021

Empirical studies show that epidemiological models based on an epidemic’s initial spread rate often fail to predict the true scale of that epidemic. Most epidemics with a rapid early rise die out before affecting a significant fraction of the population, whereas the early pace of some pandemics is rather modest. Recent models suggest that this could be due to the heterogeneity of the target population’s susceptibility. We study a computer malware ecosystem exhibiting spread mechanisms resembling those of biological systems while offering details unavailable for human epidemics. Rather than comparing models, we directly estimate reach from a new and vastly more complete data from a parallel domain, that offers superior details and insight as concerns biological outbreaks. We find a highly heterogeneous distribution of computer susceptibilities, with nearly all outbreaks initially over-affecting the tail of the distribution, then collapsing quickly once this tail is depleted. This mechanism restricts the correlation between an epidemic’s initial growth rate and its total reach, thus preventing the majority of epidemics, including initially fast-growing outbreaks, from reaching a macroscopic fraction of the population. The few pervasive malwares distinguish themselves early on via the following key trait: they avoid infecting the tail, while preferentially targeting computers unaffected by typical malware.
The elimination of trace arsenic via hollow fiber supported liquid membrane: experiment and mathematical model
Authors: Suren Sira , Ampronpong Watcharapong , Pancharoen Ura , Maneeintr Kreangkrai
Published: June 2021

This work presents the elimination of arsenic ions from synthetic produced water via hollow fiber supported liquid membrane (HFSLM). Results demonstrate that arsenic ions in synthetic wastewater can be successfully treated to meet the wastewater standard as formulated by the Ministry of Industry and the Ministry of Natural Resources and Environment, Thailand. The discharged limit of arsenic from industrial wastewater must not be greater than 250 ppb. In a single-step operation, arsenic ions are extracted and stripped. Percentages of extraction and stripping proved to be 100% and 98%, respectively. Optimum conditions found proved to be 0.68 M Aliquat 336 dissolved in toluene as the liquid membrane, at pH 12 of feed solution, having a mixture of HCl and thiourea as the synergistic strippant, and flow rates of both feed and strippant solutions of 100 mL/min. A mathematical model, developed to predict the final concentration of arsenic ions in feed and strippant solutions, is seen to fit in well with the experimental results.
Relationship between ankle strength and range of motion and postural stability during single-leg quiet stance in trained athletes
Authors: Trajković Nebojša , Kozinc Žiga , Smajla Darjan , Šarabon Nejc
Published: June 2021

The aim of this study was to determine the relationship between strength of ankle plantar and dorsal flexors and range of motion (RoM), and body sway variables during single-leg quiet stance, in highly trained athletes. The participants for this study were young athletes from 9 disciplines (n = 655). Center of pressure (CoP) velocity, amplitude, and frequency were measured during single-leg quiet stance. Moreover, athletes were measured for passive ankle plantar flexion (PF) and dorsal flexion (DF) RoM, and for rate of torque development (RTD) in the 0–50 (RTD50) and 0–200 ms time windows (RTD200). Ankle strength and RoM could not predict CoP velocity total, anterior–posterior (AP), and medial–lateral (ML) (p > 0.05). However, PFRTD50and PFRoMand PFRoMpositively influenced CoP amplitude in ML direction (p < 0.001, R2 = 0.10). Moreover, CoP frequency in ML direction significantly increased with lower PFRTD50, DFRTD50, DFRTD200, PFRoM, and DFRoM(p < 0.05). We have demonstrated that ankle strength and RoM were related to single-leg quiet stance postural balance in trained athletes. The ankle RoM showed the greatest influence on CoP variables in ML directions.
Inhibition of triple negative breast cancer metastasis and invasiveness by novel drugs that target epithelial to mesenchymal transition
Authors: Garcia Elizabeth , Luna Ismat , Persad Kaya L. , Agopsowicz Kate , Jay David A. , West Frederick G. , Hitt Mary M. , Persad Sujata
Published: June 2021

Invasive breast cancer (BrCa) is predicted to affect 1 in 9 women in a lifetime;1 in 32 will die from this disease. The most aggressive forms of BrCa, basal-like/triple-negative phenotype (TNBC), are challenging to treat and result in higher mortality due high number of metastatic cases. There is a paucity of options for TNBC treatment, which highlights the need for additional innovative treatment approaches. NIH-III mice were injected in the abdominal mammary fat pad with luciferase-expressing derivative of the human TNBC cell line, MDA-MB-231 cells. Animals were gavage-fed with nitrofen at the doses of 1, 3 or 6 mg/kg/alternate days. However, several structural properties/components of nitrofen raise concerns, including its high lipophilicity (cLogP of nearly 5) and a potential toxophore in the form of a nitroarene group. Therefore, we developed analogues of nitrofen which lack the nitro group and/or have replaced the diaryl ether linker with a diarylamine that could allow modulation of polarity. In vitro anti-invasiveness activity of nitrofen analogues were evaluated by quantitative determination of invasion of MDA-MB-231-Luciferase cells through Matrigel using a Boyden chamber. Our in vivo data show that nitrofen efficiently blocks TNBC tumor metastasis. In vitro data suggest that this is not due to cytotoxicity, but rather is due to impairment of invasive capacity of the cells. Further, using an in vitro model of EMT, we show that nitrofen interferes with the process of EMT and promotes mesenchymal to epithelial transformation. In addition, we show that three of the nitrofen analogues significantly reduced invasive potential of TNBC cells, which may, at least partially, be attributed to the analogues’ ability to promote mesenchymal to epithelial-like transformation of TNBC cells. Our study shows that nitrofen, and more importantly its analogues, are significantly effective in limiting the invasive potential of TNBC cell lines with minimal cytotoxic effect. Further, we demonstrate that nitrofen its analogues, are very effective in reversing mesenchymal phenotype to a more epithelial-like phenotype. This may be significant for the treatment of patients with mesenchymal-TNBC tumor subtype who are well known to exhibit high resistance to chemotherapy.
Optimum power transfer in RF front end systems using adaptive impedance matching technique
Authors: Alibakhshikenari Mohammad , Virdee Bal S. , Azpilicueta Leyre , See Chan H. , Abd-Alhameed Raed , Althuwayb Ayman A. , Falcone Francisco , Huynen Isabelle , Denidni Tayeb A. , Limiti Ernesto
Published: June 2021

Matching the antenna’s impedance to the RF-front-end of a wireless communications system is challenging as the impedance varies with its surround environment. Autonomously matching the antenna to the RF-front-end is therefore essential to optimize power transfer and thereby maintain the antenna’s radiation efficiency. This paper presents a theoretical technique for automatically tuning anLCimpedance matching network that compensates antenna mismatch presented to the RF-front-end. The proposed technique converges to a matching point without the need of complex mathematical modelling of the system comprising of non-linear control elements. Digital circuitry is used to implement the required matching circuit. Reliable convergence is achieved within the tuning range of theLC-network using control-loops that can independently control theLCimpedance. An algorithm based on the proposed technique was used to verify its effectiveness with various antenna loads. Mismatch error of the technique is less than 0.2%. The technique enables speedy convergence (< 5 µs) and is highly accurate for autonomous adaptive antenna matching networks.
Comparison of efficacy and safety of various management options for large upper ureteric stones a systematic review and network meta-analysis
Authors: Sharma Gopal , Pareek Tarun , Tyagi Shantanu , Kaundal Pawan , Yadav Anuj Kumar , Thummala Yashasvi , Devana Sudheer Kumar
Published: June 2021

To compare the safety and efficacy of various surgical modalities to manage large (> 1 cm) upper ureter stones. Systematic literature search was conducted to include all randomized studies comparing various treatment options for large (> 1 cm) upper ureteric stones. This review included 13 randomized studies with 1871 patients. Laparoscopic ureterolithotomy (LUL) and percutaneous nephrolithotomy (PNL) were superior to ureteroscopy (URS) and shockwave lithotripsy (SWL) for stone-free rates and need for auxiliary treatments. LUL and PNL were equally effective for stone-free rates and the need for auxiliary treatments. According to SUCRA values for stone-free rates and the need for auxiliary treatments, LUL was the best, followed by PNL. For the duration of surgery, there was no significant difference among all the techniques on network analyses, and SWL was the best according to SUCRA values. Length of hospital stay was significantly shorter for URS than LUL and PNL from network analysis, but there was no significant difference for the rest of the comparisons. Overall complications were similar in all the groups. According to the CINeMa approach, the confidence rating ranged from “very low” to “moderate” for various comparisons. LUL followed by PNL is the most efficacious treatment modality for upper ureteric stones compared to SWL and URS in terms of stone-free rates. However, due to the poor quality of included studies, further high-quality randomized studies are needed.
First dynamics of bacterial community during development of Acropora humilis larvae in aquaculture
Authors: Kullapanich Chitrasak , Jandang Suppakarn , Palasuk Matanee , Viyakarn Voranop , Chavanich Suchana , Somboonna Naraporn
Published: June 2021

A symbiosis of bacterial community (sometimes called microbiota) play essential roles in developmental life cycle and health of coral, starting since a larva. For examples, coral bacterial holobionts function nitrogen fixation, carbon supply, sulfur cycling and antibiotic production. Yet, a study of the dynamic of bacteria associated coral larvae development is complicated owning to a vast diversity and culturable difficulty of bacteria; hence this type of study remains unexplored for Acropora humilis larvae in Thai sea. This study represented the first to utilize 16S rRNA gene sequencing to describe the timely bacterial compositions during successfully cultured and reared A. humilis larval transformation in aquaculture (gametes were collected from Sattahip Bay, Chonburi province, Thailand), from gamete spawning (0 h) and fertilization stage (1 h), to embryonic cleavage (8 h), round cell development (28, 39 and 41 h), and planula formation (48 h). The sequencing results as estimated by Good’s coverage at genus level covered 99.65 ± 0.24% of total bacteria. While core phyla of bacteria were observed (Proteobacteria, Actinobacteria, Firmicutes and Bacteroidetes), changes in bacterial population structures and differential predominant core bacterial orders were denoted for each larval developmental stage, from fertilization to embryonic cleavage and subsequently from the embryonic cleavage to round cell development (P = 0.007). For instances, Pseudoalteromonas and Oceanospirillales were found prevalent at 8 h, and Rhizobiales were at 48 h. The bacterial population structures from the round cell stage, particularly at 41 h, showed gradual drift towards those of the planula formation stage, suggesting microbial selection. Overall, this study provides preliminary insights into the dynamics of bacterial community and their potentially functional association (estimated from the bacterial compositions) during the developmental embryonic A. humilis in a cultivation system in Southeast Asia region.
Fixation stability and deviation in optical coherence tomography angiography using soft contact lens correction in myopes
Authors: Lam Andrew Kwok-cheung , Lau Kenny Kin-hei , Wong Ho-yin , Lam Jasmine Pui-kwan , Yeung Man-for
Published: June 2021

To compare fixation deviation and stability with soft contact lens correction and device built-in auto-focus system during optical coherence tomography angiography (OCTA). This observational study measured OCTA metrics first with contact lens correction, followed by removal of contact lenses, using the device auto-focus system at a University Optometry Clinic, Hong Kong. All participants were habitual soft contact lens wearers with either low or high myopia. OCTA measurements were obtained using a spectral domain OCTA. Fixation deviation was distance (in pixels) of the fovea to the center of the OCTA measurement grid. Fixation stability was test–retest repeatability (TRR) and coefficient of variation (CV) of fixation deviation from three consecutive OCTA measurements. OCTA metrics included vessel length density (VD), perfusion density (PD), and foveal avascular zone (FAZ) area. Averaged OCTA metrics were calculated from three measurements and compared between the two correction methods. The mean ± SD spherical equivalent of 74 eyes from 74 myopes measured was − 1.94D ± 0.75D in low myopes (n = 37) and − 7.97D ± 1.31D in high myopes (n = 37). When corrected with contact lenses, visual acuities of high myopes (median [IQR], − 0.06 [0.08] logMAR) and low myopes (− 0.02 ± 0.08 logMAR) were similar (P = 0.060), and with similar fixation deviation (5.0 ± 2.2 pixels vs 5.3 [3.6] pixels; P = 0.689). High myopes had poorer fixation stability than low myopes (TRR: 10.2 pixels vs 7.5 pixels; CV: 65% vs 54%, respectively). The worst fixation stability occurred when high myopes were corrected using the auto-focus system (TRR: 12.5 pixels, CV: 72%). The difference in VD and PD was within 1 mm−1 and 1%, respectively. The FAZ area was similar. Difference in OCTA metrics was small in each refractive group (< 1 mm−1 in VD, and < 2% in PD). High myopes had more stable fixation when corrected when wearing contact lenses. Subjects with good contact lens corrected visual acuity should wear their contact lenses during OCTA measurements.
Hemodialysis exacerbates proteolytic imbalance and pro-fibrotic platelet dysfunction
Authors: Velasquez-Mao Aaron J. , Velasquez Mark A. , Hui Zhengxiong , Armas-Ayon Denise , Wang Jingshen , Vandsburger Moriel H.
Published: June 2021

Multi-organ fibrosis among end stage renal disease (ESRD) patients cannot be explained by uremia alone. Despite mitigation of thrombosis during hemodialysis (HD), subsequent platelet dysfunction and tissue dysregulation are less understood. We comprehensively profiled plasma and platelets from ESRD patients before and after HD to examine HD-modulation of platelets beyond thrombotic activation. Basal plasma levels of proteolytic regulators and fibrotic factors were elevated in ESRD patients compared to healthy controls, with isoform-specific changes during HD. Platelet lysate (PL) RNA transcripts for growth and coagulative factors were elevated post-HD, with upregulation correlated to HD vintage. Platelet secretome correlations to plasma factors reveal acutely induced pro-fibrotic platelet phenotypes in ESRD patients during HD characterized by preferentially enhanced proteolytic enzyme translation and secretion, platelet contribution to inflammatory response, and increasing platelet dysfunction with blood flow rate (BFR) and Vintage. Compensatory mechanisms of increased platelet growth factor synthesis with acute plasma matrix metalloproteinase (MMP) and tissue inhibitor of MMPs (TIMP) increases show short-term mode-switching between dialysis sessions leading to long-term pro-fibrotic bias. Chronic pro-fibrotic adaptation of platelet synthesis were observed through changes in differential secretory kinetics of heterogenous granule subtypes. We conclude that chronic and acute platelet responses to HD contribute to a pro-fibrotic milieu in ESRD.
Structural basis of complex formation between mitochondrial anion channel VDAC1 and Hexokinase-II
Authors: Haloi Nandan , Wen Po-Chao , Cheng Qunli , Yang Meiying , Natarajan Gayathri , Camara Amadou K. S. , Kwok Wai-Meng , Tajkhorshid Emad
Published: June 2021

Complex formation between hexokinase-II (HKII) and the mitochondrial VDAC1 is crucial to cell growth and survival. We hypothesize that HKII first inserts into the outer membrane of mitochondria (OMM) and then interacts with VDAC1 on the cytosolic leaflet of OMM to form a binary complex. To systematically investigate this process, we devised a hybrid approach. First, we describe membrane binding of HKII with molecular dynamics (MD) simulations employing a membrane mimetic model with enhanced lipid diffusion capturing membrane insertion of its H-anchor. The insertion depth of the H-anchor was then used to derive positional restraints in subsequent millisecond-scale Brownian dynamics (BD) simulations to preserve the membrane-bound pose of HKII during the formation of the HKII/VDAC1 binary complex. Multiple BD-derived structural models for the complex were further refined and their structural stability probed with additional MD simulations, resulting in one stable complex. A major feature in the complex is the partial (not complete) blockade of VDAC1’s permeation pathway, a result supported by our comparative electrophysiological measurements of the channel in the presence and absence of HKII. We also show how VDAC1 phosphorylation disrupts HKII binding, a feature that is verified by our electrophysiology recordings and has implications in mitochondria-mediated cell death.
Chemodivergent assembly of ortho-functionalized phenols with tunable selectivity via rhodium(III)-catalyzed and solvent-controlled C-H activation
Authors: Zhang Haiman , Lin Shuang , Gao Hui , Zhang Kaixin , Wang Yi , Zhou Zhi , Yi Wei
Published: June 2021

Ortho-functionalized phenols and their derivatives represent prominent structural motifs and building blocks in medicinal and synthetic chemistry. While numerous synthetic approaches exist, the development of atom-/step-economic and practical methods for the chemodivergent assembly of diverseortho-functionalized phenols based on fixed catalyst/substrates remains challenging. Here, by selectively controlling the reactivities of different sites in methylenecyclopropane core, Rh(III)-catalyzed redox-neutral and tunable C-H functionalizations ofN-phenoxyacetamides are realized, providing access to bothortho-functionalized phenols bearing linear dienyl, cyclopropyl or allyl ether groups, and cyclic 3-ethylidene 2,3-dihydrobenzofuran frameworks under mild cross-coupling conditions. These divergent transformations feature broad substrate compatibility, synthetic applications and excellent site-/regio-/chemoselectivity. Experimental and computational mechanistic studies reveal that distinct catalytic modes involving selective β-C/β-H elimination, π-allylation, inter-/intramolecular nucleophilic substitution cascade and β-H’ elimination processes enabled by different solvent-mediated and coupling partner-controlled reaction conditions are crucial for achieving chemodivergence, among which a structurally distinct Rh(V) species derived from a five-membered rhodacycle is proposed as the corresponding active intermediates.
A framework for quantifying hydrologic effects of soil structure across scales
Authors: Bonetti Sara , Wei Zhongwang , Or Dani
Published: June 2021

Earth system models use soil information to parameterize hard-to-measure soil hydraulic properties based on pedotransfer functions. However, current parameterizations rely on sample-scale information which often does not account for biologically-promoted soil structure and heterogeneities in natural landscapes, which may significantly alter infiltration-runoff and other exchange processes at larger scales. Here we propose a systematic framework to incorporate soil structure corrections into pedotransfer functions, informed by remote-sensing vegetation metrics and local soil texture, and use numerical simulations to investigate their effects on spatially distributed and areal averaged infiltration-runoff partitioning. We demonstrate that small scale soil structure features prominently alter the hydrologic response emerging at larger scales and that upscaled parameterizations must consider spatial correlations between vegetation and soil texture. The proposed framework allows the incorporation of hydrological effects of soil structure with appropriate scale considerations into contemporary pedotransfer functions used for land surface parameterization.
Sensitive pH-responsive point-of-care electrochemical immunoassay for influenza A (H1N1) virus using glucose oxidase-functionalized Ti3C2–MXene nanosheets
Authors: Lin Shuwen , Hu Xiaomei , Lin Jiayi , Wang Shunqin , Xu Jin , Cai Fan , Lin Jiancheng
Published: June 2021

A pH-responsive electrochemical immunoassay was designed to monitor H1N1 influenza virus using glucose oxidase and antibody-functionalized Ti3C2–MXene nanosheets.
Ultrasensitive photoelectrochemical immunoassay for prostate-specific antigen based on silver nanoparticle-triggered ion-exchange reaction with ZnO/CdS nanorods
Authors: Zhu Ling , Yin Zipeng , Lv Zijian , Li Meijin , Tang Dianping
Published: June 2021

A signal-amplified photoelectrochemical immunosensing platform was designed to monitor prostate-specific antigen based on ion-exchange reaction between Zno/CdS and silver nanolabels.
A “double-locked” probe for the detection of hydrogen sulfide in a viscous system
Authors: Kong Fanpeng , Wang Xiaoxiu , Bai Jundong , Li Xiao , Yang Chao , Li Ying , Xu Kehau , Tang Bo
Published: June 2021

A novel “double-locked” probe, DCO-H2S-V, was prepared for detecting hydrogen sulfide in a highly viscous system and successfully used for detecting the changes of viscosity and H2S in PC-12 cells.
Flexible electrocatalysts: interfacial-assembly of iron nanoparticles for nitrate reduction
Authors: Su Li , Zhang Fangzhou , Wang Lianjun , Fang Xiaosheng , Jiang Wan , Yang Jianping
Published: June 2021

A novel template-assisted epitaxial assembly strategy is presented to assemble carbon-coated iron nanoparticles on a functionalized carbon cloth, which exhibits optimized nitrate conversion and nitrogen selectivity.
Asymmetric construction of six vicinal stereogenic centers on hexahydroxanthones via organocatalytic one-pot reactions
Authors: Zhang Min , He Xue-Wen , Xiong Ya , Zuo Xiong , Zhou Wei , Liu Xiong-Li
Published: June 2021

Inspired by the chemistry and biology of hexahydroxanthones, herein we report an asymmetric organocatalytic strategy enabling the first construction of six vicinal stereogenic centers on non-spirocyclic hexahydroxanthone frameworks.
Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies
Authors: Mahesha  , Pampa K. J. , Karthik C. S. , Hema M. K. , Mallu P. , Lokanath N. K.
Published: June 2021

Solvent-induced structural transformations on the metal coordination sphere in homoleptic (1 and 2) and heteroleptic (3 and 4) Cu(ii) complexes were analyzed and investigated by crystallographic and quantum computational studies.
2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior
Authors: Ristić Predrag , Filipović Nenad , Blagojević Vladimir , Ćirković Jovana , Holló Berta Barta , Đokić Veljko R. , Donnard Morgan , Gulea Mihaela , Marjanović Ivana , Klisurić Olivera R. , Todorović Tamara R.
Published: June 2021

The reaction of the thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile ligands afforded four Ag(i) coordination polymers with excellent photocatalytic activity in the degradation of the mordant blue 9 dye.
Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests
Authors: Barton Benita , Senekal Ulrich , Hosten Eric C.
Published: June 2021

Each p-Xy guest molecule is surrounded by six dicarboxylic acid host molecules, forming a continuous intermolecular hydrogen-bonded motif through their carboxylic acid functionalities to form a cage-like structure in which the guests are trapped.
Regulation of oligonucleotide adsorption by a thermo and pH dual-responsive copolymer layer
Authors: Feng Chao , Mu Jiang-xue , Ren Chun-lai
Published: June 2021

The surface density of adsorbed oligonucleotides at different temperatures and pH values regulated by PEI-b-PNIPAm copolymer layer.
Spatial activity profiling along a fixed bed of powder catalyst during selective oxidation of propylene to acrolein
Authors: Stehle Matthias , Sheppard Thomas L. , Thomann Michael , Fischer Achim , Besser Heino , Pfleging Wilhelm , Grunwaldt Jan-Dierk
Published: June 2021

Spatially resolved activity profiling along a fixed bed of powder catalyst during selective oxidation of propylene to acrolein revealed gradients in the gas phase composition and temperature, and thus the reaction network.
Temperature dependence of the gas-particle partitioning of selected VOCs
Authors: Ahn Jeonghyeon , Rao Guiying , Vejerano Eric
Published: June 2021

Partitioning of n-butanol, a moderately polar compound, onto simple models of organic and inorganic aerosol particles displays nonlinear temperature dependence, whereas trichloroethylene follows linear dependence similar to 1,2-dichlorobenzene.
Ursolic acid induces white adipose tissue beiging in high-fat-diet obese male mice
Authors: Sun Ao , Hu Xiaoqin , Chen Huijian , Ma Yulan , Yan Xiyue , Peng Dangsheng , Ping Jie , Yan Youe
Published: June 2021

Ursolic acid increases the secretion of irisin by the PRDM16–PGC-1α–FNDC5 signal pathway to induce beiging of WAT and improve obese conditions.
Photocatalyst- and additive-free site-specific C(sp3)–H hydrazination of glycine derivatives and peptides
Authors: Wang Guang-Zu , Liu De-Guang , Liu Meng-Ting , Fu Yao
Published: June 2021

A visible-light-mediated site-specific C(sp3)–H hydrazination of glycine derivatives and peptides with azo compounds was developed. The C(sp3)–N coupling reaction proceeded smoothly under visible light irradiation without catalysts or additives.
Carbon dot/TiO2nanocomposites as photocatalysts for metallaphotocatalytic carbon–heteroatom cross-couplings
Authors: Zhao Zhouxiang , Reischauer Susanne , Pieber Bartholomäus , Delbianco Martina
Published: June 2021

Carbon dots have been immobilized on titanium dioxide to generate photocatalysts for metallaphotocatalytic carbon–heteroatom cross-couplings.
High-throughput microfluidic compressibility cytometry using multi-tilted-angle surface acoustic wave
Authors: Wu Yanqi , Stewart Alastair G. , Lee Peter V. S.
Published: June 2021

We developed an acoustofluidic compressibility cytometer, dragging cells towards the microchannel sidewall at positions determined by their biophysical properties and thereby measuring cell compressibility in a continuous and high-throughput manner.
Strong underwater adhesion of injectable hydrogels triggered by diffusion of small molecules
Authors: Su Xing , Xie Wenyue , Wang Pudi , Tian Zhuoling , Wang Hao , Yuan Zuoying , Liu Xiaozhi , Huang Jianyong
Published: June 2021

We report a fully physically crosslinked injectable hydrogel composed of gelatin, tea polyphenols and urea, capable of realising smart adhesion to various materials, like glass and porcine skin, in diverse aqueous environments.
A facile microwave-assisted synthesis of Ag@SiO2 nanoparticles for Raman spectroscopy
Authors: Daublytė Edita , Zdaniauskienė Agnė , Talaikis Martynas , Drabavičius Audrius , Charkova Tatjana
Published: June 2021

A microwave-assisted synthesis of 90 nm ± 10 nm Ag@SiO2 nanospheres for Raman spectroscopy.
Design and preparation of three-dimensional hetero-electrocatalysts of NiCo-layered double hydroxide nanosheets incorporated with silver nanoclusters for enhanced oxygen evolution reactions
Authors: Chu Bingxian , Ma Qiuxia , Li Zesheng , Li Bolin , Huang Furong , Pang Qi , Chen Yibo , Li Bin , Zhang Jin Zhong
Published: June 2021

Layered double hydroxides (LDHs) are one of the most effective electrocatalysts.
Tumor microenvironment-triggered in situ cancer vaccines inducing dual immunogenic cell death for elevated antitumor and antimetastatic therapy
Authors: Ding Binbin , Zheng Pan , Li Dong , Wang Meifang , Jiang Fan , Wang Zhanfeng , Ma Ping'an , Lin Jun
Published: June 2021

A strategy to develop in situ cancer vaccines via dual immunogenic cell death induced by amorphous iron oxide-packaged oxaliplatin nanoprodrugs is proposed, showing enhanced antitumor and antimetastatic therapeutic effect.
Polymerase-mediated synthesis of p-vinylaniline-coupled fluorescent DNA for the sensing of nucleolin protein–c-myc G-quadruplex interactions
Authors: Ravi Kumara Guralamatta Siddappa , Seo Young Jun
Published: June 2021

We report the synthesis of two deoxyuridine derivatives (dUCN2, dUPy) that function as molecular rotors and this probing system proved to be useful for the sensing of gene regulation arising from interactions between this G-quadruplex and nucleolin.
A ZnS@N-GQD nanocomposite as a highly effective and easily retrievable catalyst for the sonosynthesis of β-amino carbonyls
Authors: Safaei-Ghomi Javad , Mutashar Mohammaed Abdulridha , Saharkhan Zahra
Published: June 2021

A flexible and highly efficient protocol for the sonosynthesis of β-amino carbonyls using a ZnS@N-GQD nanocomposite has been developed.
Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy
Authors: Brotzakis Z. Faidon , Löhr Thomas , Vendruscolo Michele
Published: June 2021

A structural ensemble derived from cryo-electron microscopy reveals a cryptic pocket site in intermediate states along the opening pathway of the SARS-CoV-2 spike protein.
The crystalline state as a dynamic system: IR microspectroscopy under electrochemical control for a [NiFe] hydrogenase
Authors: Ash Philip A. , Kendall-Price Sophie E. T. , Evans Rhiannon M. , Carr Stephen B. , Brasnett Amelia R. , Morra Simone , Rowbotham Jack S. , Hidalgo Ricardo , Healy Adam J. , Cinque Gianfelice , Frogley Mark D. , Armstrong Fraser A. , Vincent Kylie A.
Published: June 2021

Electrochemically-coupled IR microspectroscopy of single crystals provides insight into proton-coupled electron transfer in [NiFe] hydrogenase.
Research progress of two-dimensional layered and related derived materials for nitrogen reduction reaction
Authors: Gan Chengqiang , Yan Wenya , Zhang Yichi , Jiang Qianqian , Tang Jianguo
Published: June 2021

2D composite materials are widely used because of their excellent properties. In this review, several popular 2D composite materials are introduced for NRR.
An interference screw made using a silk fibroin-based bulk material with high content of hydroxyapatite for anterior cruciate ligament reconstruction in a rabbit model
Authors: Yan Zhuo , Chen Wenbo , Jin Wenhe , Sun Yaying , Cai Jiangyu , Gu Kai , Mi Ruixin , Chen Ni , Chen Shiyi , Shao Zhengzhong
Published: June 2021

A SF bulk interference screw with high content of hydroxyapatite (HA) showing proper mechanical properties, satisfactory cytocompatibility and osteoinductivity was generated for anterior cruciate ligament reconstruction in a rabbit model.
Stable crosslinked gate electrodes for hygroscopic insulator OTFT sensors
Authors: Arthur Joshua N. , Cole Cameron M. , Pandey Ajay K. , Yambem Soniya D.
Published: June 2021

We report methods for fabricating stable PEDOT:PSS gate electrodes for hygroscopic insulator field effect transistors for sensing applications. Crosslinkers DVS and GOPS are used, and the challenges and advantages of each are demonstrated.
Substrate-immobilized noble metal nanoplates: a review of their synthesis, assembly, and application
Authors: Neal Robert D. , Hughes Robert A. , Preston Arin S. , Golze Spencer D. , Demille Trevor B. , Neretina Svetlana
Published: June 2021

Single-crystal noble metal nanoplates represent an important nanoscale building block. Substrate surfaces populated with such structures create a powerful platform for realizing photo- and chemically active surfaces of high technological relevance.
A multiaxial electrical switching in a one-dimensional organic–inorganic (pyrrolidinium)2Cd2I6ferroelectric and photoluminescent crystal
Authors: Rok Magdalena , Zarychta Bartosz , Bil Andrzej , Trojan-Piegza Joanna , Medycki Wojciech , Miniewicz Andrzej , Piecha-Bisiorek Anna , Ciżman Agnieszka , Jakubas Ryszard
Published: June 2021

A novel photoluminescent–ferroelectric crystal of (C4H10N)2[Cd2I6] (PCdI) has been obtained and characterized.
Electromagnetic characterization of tuneable graphene‐strips‐on‐substrate metasurface over entire THz range: Analytical regularization and natural‐mode resonance interplay
Authors: Yevtushenko Fedir O. , Dukhopelnykov Sergii V. , Zinenko Tatiana L. , Rapoport Yuriy G.
Published: June 2021

Scattering and absorption of the H‐polarized plane wave by the infinite grating of flat graphene strips are considered in the environment met most frequently—on or at the surface of a dielectric‐slab substrate. The full‐wave meshless code is based on the analytical semi‐inversion using the Riemann–Hilbert problem solution. This leads to a Fredholm second‐kind matrix equation for the Floquet harmonic amplitudes that guarantees code convergence and provides easy control of computational error, which can be reduced to machine precision. The matrix elements are combinations of elementary functions, and therefore, the code is accurate and quite economical. This enables computation of the reflectance, transmittance, and absorbance as a function of the frequency in the wide band from static case to 10 THz. Numerical results show that such a metasurface with micrometre‐sized strips is a composite periodic open resonator. It is highly frequency‐selective thanks to the interplay of three types of natural modes—low‐Q slab, moderate‐Q plasmon strip, and ultra‐high‐Q lattice—that do not exist in the absence of the substrate. Varying the chemical potential of graphene, one can manipulate the electromagnetic characteristics of the metasurface at a fixed frequency from almost total transmission to almost total reflection.
Naked emergence of an anti-Hale active region
Authors: Wang Jincheng , Yan Xiaoli , Kong Defang , Xue Zhike , Yang Liheng , Li Qiaoling , Zhang Yan , Li Hao
Published: June 2021

Aims. In order to understand the emergence of the active region, we investigate the emerging process and magnetic properties of a naked anti-Hale active region during the period between August 24 to 25, 2018.

Methods. Using the data from Helioseismic and Magnetic Imager on board the Soar Dynamic Observatory and the New Vacuum Solar Telescope, we calculated different evolving parameters (such as pole separation, tilt angle) and magnetic parameters (such as vertical electric current, force-free parameter, relative magnetic helicity) during the emergence of the active region. With these calculated parameters and some reasonable assumptions, we use two different methods to estimate the twist of the active region.

Results. The magnetic flux and pole separation continue increasing while the tilt angle exhibits a decreasing pattern during the emergence of the active region. The increase of the pole separation is mainly contributed as a result of the enhancement in the longitude direction. A power-law relationship between pole separation and total flux is found during the emergence of the active region. On the other hand, it is found that both the positive and negative electric currents increased equivalently and the average flux-weighted force-free parameter α̃ remains almost consistently positive, on the order of ∼10−8 m−1. The relative magnetic helicity is mainly contributed by the shear term, while the relative magnetic helicity injection flux of the shear term changes its sign at the latter stage of the emergence. The twist number of the whole active region remains on the order of 10−1 turns during the emergence of the active region.

Conclusions. We find that the magnetic flux tube with low twist also could emerge into the solar atmosphere.
Discovery of a new nearby globular cluster with extreme kinematics located in the extension of a halo stream
Authors: Minniti Dante , Fernández-Trincado José G. , Gómez Matías , Smith Leigh C. , Lucas Philip W. , Contreras Ramos Rodrigo
Published: June 2021

Context. We report the discovery of VVV-CL160, a new nearby globular cluster (GC) with extreme kinematics, located in the Galactic plane at l = 10.1477 deg, b = 0.2999 deg.

Aims. We aim to characterize the physical properties of this new GC and place it in the context of the Milky Way, exploring its possible connection with the known GC NGC 6544 and with the Hrid halo stream.

Methods. VVV-CL160 was originally detected in the VISTA Variables in the Vía Láctea (VVV) survey. We use the proper motions (PMs) from the updated VVV Infrared Astrometric Catalog (VIRAC2) to select GC members and make deep near-infrared color-magnitude diagrams to study the cluster properties. We also fit King models to the decontaminated sample to determine the GC structural parameters.

Results. VVV-CL160 has an unusually large PM for a Galactic GC as measured with VIRAC2 and Gaia EDR3: μα cos (δ) = −2.3 ± 0.1 mas yr−1 and μδ = −16.8 ± 0.1 mas yr−1. The kinematics are similar to those of the known GC NGC 6544 and the Hrid halo stream. We estimate a reddening of E(J − K) = 1.95 mag and an extinction of AK = 1.40 mag for VVV-CL160. We also measure a distance modulus of (m − M) = 13.01 mag and a distance of D⊙ = 4.0 ± 0.5 kpc. This places the GC at z = 29 pc above the Galactic plane and at a galactocentric distance of RG = 4.2 kpc. We also measure a metallicity of [Fe/H] = −1.4 ± 0.2 dex for an adopted age of t = 12 Gyr; King model fits of the PM-decontaminated sample reveal a concentrated GC, with core radius rc = 22.8″ and tidal radius rt = 50′. We also estimate the absolute magnitude in the near-infrared of MK = −7.6 mag, equivalent to an optical absolute magnitude of MV = −5.1 mag. We also explore the possible association of this new GC with other GCs and halo streams.

Conclusions. Based on the locations and kinematics, we suggest that VVV-CL160, along with NGC 6544, may be associated with the extension of the Hrid halo stream.
Landscape as a factor of natural selection on reactivity for steppe marmot (Marmota bobak)
Authors: Nikol’skii Alexander
Published: June 2021

Marmots use a sound signal to inform their neighbours about the danger. Vocalization is the response of marmots to the visual perception of a potentially dangerous stimulus. For the first time at the intraspecific level the relationship between the rhythmic structure of the signal and the habitat elevation of populations is shown using the example of the steppe marmot (Marmota bobak). An increase in elevation is accompanied by an increase in the relative excess of positive forms over the nearest negative forms of relief. The dismembered relief reduces the visual detection range of danger. With an increase in the habitat elevation of populations, the repetition periods of sounds in the signal decrease. In the range of habitat elevations of the steppe marmot from 120 to 730 m, the median of the repetition periods decreases from 5.35 to 2.17 s. The increased rhythm is a consequence of the increased reactivity of marmots. It has been suggested that a complex of reactions to visual detection of danger controls the amygdale. The alarm call of marmots was recorded in the field.