bluuebunny/crossref_metadata_2025 huggingface dataset:
Transcatheter mechanical thrombectomy of neonatal occlusive aortic thrombus using an Amplatzer Piccolo PDA occluder
Authors: Herron Christopher , Covi Stuart , Pappas Athina , Kobayashi Daisuke
Published: August 2021

Neonatal aortic thrombus is a rare and critical condition that can present mimicking severe coarctation of the aorta or interrupted aortic arch. Transcatheter thrombectomy for this lesion has not been well described. We report a premature neonate with an occlusive proximal descending aorta thrombus, who underwent transcatheter mechanical thrombectomy using an Amplatzer Piccolo PDA occluder (Abbott, North Chicago, IL, USA). The procedure was successful with no subsequent distal thromboembolic events.
Nutrition transition and chronic diseases in China (1990–2019): industrially processed and animal calories rather than nutrients and total calories as potential determinants of the health impact
Authors: Fardet Anthony , Aubrun Kenny , Rock Edmond
Published: August 2021

Objective:

To extend analyses of nutrition transition in developed countries to China within the framework of the 3Vs rule considering degree of processing starting with plant/animal calorie ratio (Rule 1), industrially processed foods (IPFs, Rule 2), and food diversity through nutrient intakes (Rule 3).

Design:

Total and main food group (n13) calorie intakes, percentages of animal and IPF calories, adequacy of the Dietary Reference Intake (DRI) and prevalence of chronic diseases were retrieved from scientific literature and international databases.

Setting:

China, 1990–2019.

Participants:

Overall population.

Results:

The total calorie intake decreased by 9 % over 30 years while the prevalence of chronic diseases substantially increased. Percentages of IPFs (Rule 1) and animal (Rule 2) calorie intake shifted from 9 to 30 % and 2 to 30 %, respectively. Meanwhile, the overall DRI adequacy (Rule 3) did not improve, with calcium and retinol deficiencies in 2019, and, although remaining above DRI, iron, copper, magnesium, and vitamins E, C and B1–B9intakes regularly decreased. Notably, the prevalence of obesity increased five-fold, paralleling the exponential increase in IPF calorie intake. Both sources of calories were highly correlated with prevalence of main chronic diseases.

Conclusions:

Despite a slight decreased of total calorie consumption and small variations of adequacy with DRI, the farther the Chinese population moved away from the 3Vs rule during the 1990–2019 period, the more the prevalence of chronic diseases increased. Further analyses on foods’ transitions will be better assessed when advocating sources/quality of calories (Rules 1/2), rather than only nutrient composition (Rule 3).
Morphological Changes in the Myotendinous Junction of mdx Mice
Authors: Martinez Giovana Zerbo , Grillo Bruna Aléxia Cristofoletti , Rocha Lara Caetano , Jacob Carolina dos Santos , Pimentel Neto Jurandyr , Tomiate André Neri , Barbosa Gabriela Klein , Watanabe Ii-sei , Ciena Adriano Polican
Published: August 2021

The myotendinous junction (MTJ) is the interface between muscle and tendon, and it is the main area of force transmission of the locomotor apparatus. Dystrophic processes promote pathological injury which affects the skeletal muscle and can influence the morphology of the MTJ. This study aimed to investigate the adaptations in MTJ morphology of mdx mice in the tibialis anterior muscle. Male mice (n = 24) were divided into Control—C57bl/10 and mdx—C57bl/10mdx (Duchenne muscular dystrophy experimental model). In the mdx group, centralized nuclei with a large area and greater deposition of type III collagen (fibrosis) were observed. Also, shorter sarcomeres and sarcoplasmatic projections of MTJ were observed. We concluded that the adaptations in mdx mice demonstrated extensive impairment in the MTJ region with reduced ultrastructures.
Temporal Minimal-World Query Answering over Sparse ABoxes
Authors: BORGWARDT STEFAN , FORKEL WALTER , KOVTUNOVA ALISA
Published: August 2021

Ontology-mediated query answering is a popular paradigm for enriching answers to user queries with background knowledge. For querying theabsenceof information, however, there exist only few ontology-based approaches. Moreover, these proposals conflate the closed-domain and closed-world assumption and, therefore, are not suited to deal with the anonymous objects that are common in ontological reasoning. Many real-world applications, like processing electronic health records, also contain a temporal dimension and require efficient reasoning algorithms. Moreover, since medical data are not recorded on a regular basis, reasoners must deal with sparse data with potentially large temporal gaps. Our contribution consists of two main parts: In the first part, we introduce a new closed-world semantics for answering conjunctive queries (CQs) with negation over ontologies formulated in the description logic$${\mathcal E}{\mathcal L}{{\mathcal H}_ \bot }$$, which is based on theminimalcanonical model. We propose a rewriting strategy for dealing with negated query atoms, which shows that query answering is possible in polynomial time in data complexity. In the second part, we extend this minimal-world semantics for answering metric temporal CQs with negation over the lightweight temporal logicand obtain similar rewritability and complexity results.
Detecting the effect of ACCase-targeting herbicides on ACCase activity utilizing a malachite green colorimetric functional assay
Authors: Basak Suma , Alam Md. Jahangir , Goodwin Douglas , Harris James , Patel Jinesh D. , McCullough Patrick , McElroy J. Scott
Published: August 2021

Research was conducted using a functional malachite green colorimetric assay to evaluate acetyl-coenzyme A carboxylase (ACCase) activity previously identified as resistant to sethoxydim and select aryloxyphenoxypropionate (FOPs) herbicides, fenoxaprop, and fluazifop. Two resistant southern crabgrass [Digitaria ciliaris (Retz.) Koeler] biotypes, R1 and R2, containing an Ile-1781-Leu amino acid substitution and previously identified as resistant to sethoxydim, pinoxaden, and fluazifop but not clethodim was utilized as the resistant chloroplastic ACCase source compared with known susceptible (S) ACCase. Dose-response studies with sethoxydim, clethodim, fluazifop-p-butyl, and pinoxaden (0.6 to 40 µM) were conducted to compare the ACCase–herbicide interactions of R1, R2, and S using the malachite green functional assay. Assay results indicated that R biotypes required more ACCase-targeting herbicides to inhibit ACCase activity compared with S. IC50 values of all four herbicides for R biotypes were consistently an order of magnitude greater than those of S. No sequencing differences in the carboxyltransferase domain was observed for R1 and R2; however, R2 IC50 values were greater across all herbicides. These results indicate the malachite green functional assay is effective in evaluating ACCase activity of R and S biotypes in the presence of ACCase-targeting herbicides, which can be used as a replacement for the 14C-based radiometric functional assays.
Nuancing Perspective
Authors: Israelashvili Jacob , Perry Anat
Published: August 2021

Abstract. Two experiments manipulated participants’ familiarity with another person and examined their performance in future understanding of that person’s emotions. To gain familiarity, participants watched several videos of the target sharing experiences and rated her emotions. In the Feedback condition, perceivers learned about the actual emotions the target felt. In the Control condition, perceivers completed identical recognition tasks but did not know the target’s own emotion ratings. Studies ( Ntotal= 398; one preregistered) found that the Feedback group was more accurate than the Control in future understanding of the target’s emotions. Results provide a proof-of-concept demonstration that brief preliminary learning about past emotional experiences of another person can give one a more accurate understanding of the person in the future.
Situational Awareness and General Aviation Accidents
Authors: Kalagher Hilary , de Voogt Alex , Boulter Colin
Published: August 2021

Abstract. Situational awareness is a concept increasingly used in aircraft accident investigation reports. We analyzed 94 general aviation accidents in which situational awareness was mentioned by the National Transportation Safety Board investigator to determine factors that are significantly more often associated with fatality. We found a consistent use of the situational awareness concept, mainly applied to situations in which aircraft inadvertently collided with each other, with other man-made objects, and with various kinds of terrain. A significantly higher proportion of fatal accidents occurred during nighttime, in instrument meteorological conditions, or low visibility conditions. In addition, flights occurring during the cruise phase or in combination with spatial or geographical disorientation proved most often fatal.
Validation of the Chinese Dimensional Anhedonia Rating Scale in Depressed Patients in Hong Kong
Authors: Ching Edgar Wing-ka , Chiang Tin Po , Wong Jessica O. Y. , Siu Bonnie W. M. , Cheng Koi Man , Lui Simon S. Y. , Cheung Eric F. C.
Published: August 2021

Abstract. To better understand and gauge the severity of anhedonia, the Dimensional Anhedonia Rating Scale (DARS) was developed which focuses on assessing the four pleasure domains of anhedonia. Lacking any Asian data in the original study, a Chinese version of the DARS (C-DARS) was evaluated in this study. The scale was developed by backward and forward translations and reviewed by an expert panel and a focus group. One hundred fifty-one depressed patients were recruited. The internal consistency and test–retest reliability were confirmed (McDonald’s ω = .82); a confirmatory factor analysis showed a second-order model with adequate fit (RMSEA = .078, CFI = .945). Concurrent validity was examined by the correlations with the Chinese version of the Snaith–Hamilton Pleasure Scale ( r = −.72, p < .001), while discriminant validity was examined with the Hamilton Depression Rating Scale ( r = −.34, p < .001). The C-DARS was shown to be a psychometrically sound and valid measure of anhedonia severity ready for clinical use.
A Preliminary Study on the Organizational Modes of Mesoscale Convective Systems Associated With Warm‐Sector Heavy Rainfall in South China
Authors: Li Sa , Meng Zhiyong , Wu Naigeng
Published: August 2021

This work examines the organizational modes of mesoscale convective systems (MCSs) associated with warm‐sector heavy rainfall events in South China based on composite radar reflectivities during April–June from 2007 to 2020. The results showed that these MCSs can be classified into the nonlinear mode (NL) and eight linear modes: trailing stratiform precipitation (TS), no stratiform precipitation (NS), leading stratiform precipitation (LS), parallel stratiform precipitation (PS), embedded lines (EL), bow echoes (BE), training line/adjoining stratiform (TL/AS), and multiple rain bands (MRB). The NL mode accounts for 40% of the total, while linear modes account for 60%, with the TS mode being the most frequent linear mode. The detailed features of the top three most frequent organizational modes (NL, TS, and NS) were examined in this work. First, the MCSs of the top three organizational modes have different formation modes. Eighty‐four percent of NL systems and 77% of TS systems form via the broken areal mode, while 83% of NS systems form via the broken line mode. Second, relative to TS and NS systems, NL systems develop faster and have shorter lifespans but slower movements with higher 3‐h and 6‐h maximum precipitation values. Third, environmental analysis indicates that the Total Totals index (TTI) is significantly different among all the top three organizational modes, with the highest value in TS mode and the lowest value in NS mode. These features are apparently different from their counterparts in central East China due to different synoptic environments.
Brain mapping across 16 autism mouse models reveals a spectrum of functional connectivity subtypes
Authors: Zerbi V. , Pagani M. , Markicevic M. , Matteoli M. , Pozzi D. , Fagiolini M. , Bozzi Y. , Galbusera A. , Scattoni M. L. , Provenzano G. , Banerjee A. , Helmchen F. , Basson M. A. , Ellegood J. , Lerch J. P. , Rudin M. , Gozzi A. , Wenderoth N.
Published: August 2021

Autism Spectrum Disorder (ASD) is characterized by substantial, yet highly heterogeneous abnormalities in functional brain connectivity. However, the origin and significance of this phenomenon remain unclear. To unravel ASD connectopathy and relate it to underlying etiological heterogeneity, we carried out a bi-center cross-etiological investigation of fMRI-based connectivity in the mouse, in which specific ASD-relevant mutations can be isolated and modeled minimizing environmental contributions. By performing brain-wide connectivity mapping across 16 mouse mutants, we show that different ASD-associated etiologies cause a broad spectrum of connectional abnormalities in which diverse, often diverging, connectivity signatures are recognizable. Despite this heterogeneity, the identified connectivity alterations could be classified into four subtypes characterized by discrete signatures of network dysfunction. Our findings show that etiological variability is a key determinant of connectivity heterogeneity in ASD, hence reconciling conflicting findings in clinical populations. The identification of etiologically-relevant connectivity subtypes could improve diagnostic label accuracy in the non-syndromic ASD population and paves the way for personalized treatment approaches.
Phase I study of CAR-T cells with PD-1 and TCR disruption in mesothelin-positive solid tumors
Authors: Wang Zhenguang , Li Na , Feng Kaichao , Chen Meixia , Zhang Yan , Liu Yang , Yang Qingming , Nie Jing , Tang Na , Zhang Xingying , Cheng Chen , Shen Lianjun , He Jiaping , Ye Xun , Cao Wei , Wang Haoyi , Han Weidong
Published: August 2021

Programmed cell death protein-1 (PD-1)-mediated immunosuppression has been proposed to contribute to the limited clinical efficacy of chimeric antigen receptor T (CAR-T) cells in solid tumors. We generated PD-1 and T cell receptor (TCR) deficient mesothelin-specific CAR-T (MPTK-CAR-T) cells using CRISPR-Cas9 technology and evaluated them in a dose-escalation study. A total of 15 patients received one or more infusions of MPTK-CAR-T cells without prior lymphodepletion. No dose-limiting toxicity or unexpected adverse events were observed in any of the 15 patients. The best overall response was stable disease (2/15 patients). Circulating MPTK-CAR-T cells peaked at days 7–14 and became undetectable beyond 1 month. TCR-positive CAR-T cells rather than TCR-negative CAR-T cells were predominantly detected in effusion or peripheral blood from three patients after infusion. We further confirmed the reduced persistence of TCR-deficient CAR-T cells in animal models. Our results establish the preliminary feasibility and safety of CRISPR-engineered CAR-T cells with PD-1 disruption and suggest that the natural TCR plays an important role in the persistence of CAR-T cells when treating solid tumors.
Linear elasticity of polymer gels in terms of negative energy elasticity
Authors: Sakumichi Naoyuki , Yoshikawa Yuki , Sakai Takamasa
Published: August 2021

We recently found that the energy contribution to the linear elasticity of polymer gels in the as-prepared state can be a significant negative value; the shear modulus is not proportional to the absolute temperature [1]. Our finding challenges the conventional notion that the polymer-gel elasticity is mainly determined by the entropy contribution. Existing molecular models of classical rubber elasticity theories, including the affine, phantom, and junction affine network models, cannot be used to estimate the structural parameters of polymer gels. In this focus review, we summarize the experimental studies on the linear elasticity of polymer gels in the as-prepared state using tetra-arm poly(ethylene glycol) (PEG) hydrogels with a homogenous polymer network. We also provide a unified formula for the linear elasticity of polymer gels with various network topologies and densities. Using the unified formula, we reconcile the past experimental results that seemed to be inconsistent with each other. Finally, we mention that there are still fundamental unresolved problems involving the linear elasticity of polymer gels.
The enzymatic activity of inositol hexakisphosphate kinase controls circulating phosphate in mammals
Authors: Moritoh Yusuke , Abe Shin-ichi , Akiyama Hiroki , Kobayashi Akihiro , Koyama Ryokichi , Hara Ryoma , Kasai Shizuo , Watanabe Masanori
Published: August 2021

Circulating phosphate levels are tightly controlled within a narrow range in mammals. By using a novel small-molecule inhibitor, we show that the enzymatic activity of inositol hexakisphosphate kinases (IP6K) is essential for phosphate regulation in vivo. IP6K inhibition suppressed XPR1, a phosphate exporter, thereby decreasing cellular phosphate export, which resulted in increased intracellular ATP levels. The in vivo inhibition of IP6K decreased plasma phosphate levels without inhibiting gut intake or kidney reuptake of phosphate, demonstrating a pivotal role of IP6K-regulated cellular phosphate export on circulating phosphate levels. IP6K inhibition-induced decrease in intracellular inositol pyrophosphate, an enzymatic product of IP6K, was correlated with phosphate changes. Chronic IP6K inhibition alleviated hyperphosphataemia, increased kidney ATP, and improved kidney functions in chronic kidney disease rats. Our results demonstrate that the enzymatic activity of IP6K regulates circulating phosphate and intracellular ATP and suggest that IP6K inhibition is a potential novel treatment strategy against hyperphosphataemia.
Long-term outcome in pediatric surgical bypass grafting after traumatic injury and tumor resection: retrospective cohort analysis
Authors: Kampf Stephanie , Willegger Madeleine , Dawoud Christopher , Fülöp Gerhard , Lirk Philipp , Willfort-Ehringer Andrea , Neumayer Christoph , Gollackner Bernd
Published: August 2021

Vascular bypass surgery in children differs significantly from adults. It is a rarely performed procedure in the setting of trauma and tumor surgery. Besides technical challenges to reconstruct the small and spastic vessels, another concern in bypass grafting is the adequate limb length growth over time. The primary aim of this study was to assess long-term outcome after pediatric bypass grafting, in a single academic center, focusing on potential effects on limb development. In this retrospective cohort analyses we included all pediatric patients undergoing vascular bypass grafting at our department between 2002 and 2017. All patients ≤ 18 years suffered a traumatic injury or underwent a tumor resection of the lower or upper limb. The youngest female patient was 0.4 years, the youngest male patient was 3.5 years. During the observation period, 33 pediatric patients underwent vascular repair, whereby 15 patients underwent bypass grafting. Median overall follow-up was 4.7 years (IQR ± 9). 8 patients (53%) had a traumatic injury (traumatic surgery group) and 7 patients had a planned orthopedic tumor resection (orthopedic surgery group). In 13/15 (87%) a great saphenous vein (GSV) graft and in 2/15 (13%) a Gore-Tex graft was used for bypassing. Both Gore-Tex grafts showed complete occlusion 12 and 16 years after implantation. No patient died in the early postoperative phase (< 30 days), however 3/7 (43%) in the orthopedic group died during follow-up. Revision surgery had to be performed in 1/15 (7%) patients. A functional use of the extremity was reported in all patients. Normal limb length growth according to the contralateral site, and therefore bypass growth, could be documented in 14/15 patients. Children are surgically challenging. In our study, surgery by a specialized vascular surgery team using GSV grafts led to adequate limb length and bypass growth, and we observed no functional restrictions.
Ultrafast electron holes in plasma phase space dynamics
Authors: Jenab Seyyed Mehdi Hosseini , Brodin Gert , Juno James , Kourakis Ioannis
Published: August 2021

Electron holes (EH) are localized modes in plasma kinetic theory which appear as vortices in phase space. Earlier research on EH is based on the Schamel distribution function (df). A novel df is proposed here, generalizing the original Schamel df in a recursive manner. Nonlinear solutions obtained by kinetic simulations are presented, with velocities twice the electron thermal speed. Using 1D-1V kinetic simulations, their propagation characteristics are traced and their stability is established by studying their long-time evolution and their behavior through mutual collisions.
Integrated biocontrol of tobacco bacterial wilt by antagonistic bacteria and marigold
Authors: Hu Yun , Zhao Wan , Li Xihong , Feng Ji , Li Chunli , Yang Xiaoqiong , Guo Qingqing , Wang Lin , Chen Shouwen , Li Yanyan , Yang Yong
Published: August 2021

Tobacco bacterial wilt (TBW) is seriously damages the growth of tobacco. There is an urgent need to find a safer and more effective measure to control TBW. In this study, B. amyloliquefaciens ZM9 and marigold powder were applied to the tobacco roots alone or in combination, and the potential inhibition of TBW was assessed. On the other hand, the effects of these treatments on soil physicochemical properties, rhizosphere microbial community and soil metabolites were also evaluated. The results showed that the application of B. amyloliquefaciens ZM9 or marigold powder alone significantly reduced the abundance of R. solanacearum in rhizosphere soil, while the integrated treatment showed the strongest inhibitory effect. Moreover, the integrated treatment can inhibit the secretion of chemoattractants, and affect the change of rhizosphere soil microbial composition. In conclusion, the combination of antagonistic bacteria agent B. amyloliquefaciens ZM9 with marigold powder can enhance the suppression of TBW. Furthermore, B. amyloliquefaciens ZM9 and marigold have synergistic effects on suppressing TBW by regulation soil physicochemical properties, soil metabolites and microbial structure. This study provide a promising strategy for TBW control by integrated applying of B. amyloliquefaciens ZM9 and marigold powder.
Effect of black ginseng and silkworm supplementation on obesity, the transcriptome, and the gut microbiome of diet-induced overweight dogs
Authors: Park Miey , Kim Ki Hyun , Jaiswal Varun , Choi Jihee , Chun Ju Lan , Seo Kang Min , Lee Mi-Jin , Lee Hae-Jeung
Published: August 2021

Like humans, weight control in overweight dogs is associated with a longer life expectancy and a healthier life. Dietary supplements are one of the best strategies for controlling obesity and obesity-associated diseases. This study was conducted to assess the potential of black ginseng (BG) and silkworm (SW) as supplements for weight control in diet-induced overweight beagle dogs. To investigate the changes that occur in dogs administered the supplements, different obesity-related parameters, such as body condition score (BCS), blood fatty acid profile, transcriptome, and microbiome, were assessed in high energy diet (HD) and HD with BG + SW supplementation (HDT) groups of test animals. After 12 weeks of BG + SW supplementation, total cholesterol and triglyceride levels were reduced in the HDT group. In the transcriptome analysis, nine genes (NUGGC, EFR3B, RTP4, ACAN, HOXC4, IL17RB, SOX13, SLC18A2, and SOX4) that are known to be associated with obesity were found to be differentially expressed between the ND (normal diet) and HD groups as well as the HD and HDT groups. Significant changes in some taxa were observed between the HD and ND groups. These data suggest that the BG + SW supplement could be developed as dietary interventions against diet-induced obesity, and obesity-related differential genes could be important candidates in the mechanism of the anti-obesity effects of the BG + SW supplement.
Value of dynamic contrast enhanced MRI in differential diagnostics of Warthin tumors and parotid malignancies
Authors: Mikaszewski Bogusław , Markiet Karolina , Smugała Aneta , Stodulski Dominik , Garsta Ewa , Piątkowski Jakub , Szurowska Edyta
Published: August 2021

To define an algorithm for differential diagnostics of parotid malignancies and Warthin tumors (WTs) based on dynamic contrast enhanced MRI (DCE-MRI). 55 patients with parotid tumors treated surgically were analyzed. Of which, 19 had parotid malignancy and 36 had WTs confirmed with postoperative histopathological examination. Accuracy of DCE-MRI parameters (Tpeak and WR) was compared with the histopathological diagnosis. ROC analysis was performed to determine sensitivity and specificity of DCE-MRI with various Tpeak and WR cut-off values. WT showed significantly lower median Tpeak and higher median WR than malignant lesions. The cut-off values for Tpeak and WR providing maximum sensitivity (84.2%) and specificity (86.1%) for malignant tumors were Tpeak > 60 s and WR ≤ 30%. Different diagnostic algorithm, i.e., lower cut-off value for Tpeak (Tpeak = 60 s), increases sensitivity of DCE-MRI in differentiating parotid malignancies from WTs. However, WR > 30% seems to be a key diagnostic criterion for benign lesions. Precise and reliable preoperative diagnostics of parotid tumors aids in careful surgical planning, thereby assisting in achieving sufficient surgical resection margins and facial nerve preservation.
Author Correction: The anisotropic field of ensemble coding
Authors: Pascucci David , Ruethemann Nadia , Plomp Gijs
Published: August 2021

In the original version of this Article a Data and Code Availability section was omitted. It has now been included and states.
Ionization and structural properties of mRNA lipid nanoparticles influence expression in intramuscular and intravascular administration
Authors: Carrasco Manuel J. , Alishetty Suman , Alameh Mohamad-Gabriel , Said Hooda , Wright Lacey , Paige Mikell , Soliman Ousamah , Weissman Drew , Cleveland Thomas E. , Grishaev Alexander , Buschmann Michael D.
Published: August 2021

Lipid Nanoparticles (LNPs) are used to deliver siRNA and COVID-19 mRNA vaccines. The main factor known to determine their delivery efficiency is the pKa of the LNP containing an ionizable lipid. Herein, we report a method that can predict the LNP pKa from the structure of the ionizable lipid. We used theoretical, NMR, fluorescent-dye binding, and electrophoretic mobility methods to comprehensively measure protonation of both the ionizable lipid and the formulated LNP. The pKa of the ionizable lipid was 2-3 units higher than the pKa of the LNP primarily due to proton solvation energy differences between the LNP and aqueous medium. We exploited these results to explain a wide range of delivery efficiencies in vitro and in vivo for intramuscular (IM) and intravascular (IV) administration of different ionizable lipids at escalating ionizable lipid-to-mRNA ratios in the LNP. In addition, we determined that more negatively charged LNPs exhibit higher off-target systemic expression of mRNA in the liver following IM administration. This undesirable systemic off-target expression of mRNA-LNP vaccines could be minimized through appropriate design of the ionizable lipid and LNP.
Quantum spin mixing in Dirac materials
Authors: Chen Ying-Jiun , Hoffmann Markus , Zimmermann Bernd , Bihlmayer Gustav , Blügel Stefan , Schneider Claus M. , Tusche Christian
Published: August 2021

The spin of the electron is nowadays replacing the charge as basic carrier of information not only in spintronics applications, but also in the emerging field of quantum information. Topological quantum materials, where spin-momentum locking is believed to lead to particularly long spin lifetimes, are regarded as a promising platform for such applications. However, spin-orbit coupling, that is essential to all topological matter, at the same time gives rise to spin mixing and decoherence as a major obstacle for quantum computing. Here, we give experimental evidence that hot-spots of spin-mixing and spin-conserving contributions of the spin-orbit operator coexist in an archetypal topological Dirac metal, and that these hot spots can have a strongly anisotropic distribution of their respective wave vectors with respect to the spin quantization direction. Our results can be understood within a theory that takes into account the decomposition of the spin-orbit Hamiltonian into spin-conserving and spin-flip terms, contributing to a better understanding of quantum decoherence in topological materials, in general.
Ground vibrations recorded by fiber-optic cables reveal traffic response to COVID-19 lockdown measures in Pasadena, California
Authors: Wang Xin , Zhan Zhongwen , Williams Ethan F. , Herráez Miguel González , Martins Hugo Fidalgo , Karrenbach Martin
Published: August 2021

The COVID-19 lockdown has unprecedently affected the dynamics of our society. As traffic flow is a good proxy for societal activity, traffic monitoring becomes a useful tool to assess the lockdown’s impacts. Here we turned two strands of unused telecommunication fibers in Pasadena, California into a seismic array of ~5,000 sensors and detected ground vibrations caused by moving vehicles along the streets above the cable. We monitor the number of vehicles and their mean speed between December 2019 and August 2020 in high spatial and temporal resolution, and then analyze the traffic patterns change due to the COVID-19 lockdown. Our results show a city-wide decline in traffic volume and an increase in speed due to the lockdown, although the level of impact varies substantially by streets. This study demonstrates the feasibility of using telecommunication fiber optic cables in traffic monitoring, which has implications for public health, economy, and transportation safety.
Surfactant-assisted synthesis of titanium nanoMOFs for thin film fabrication
Authors: Romero-Angel María , Castells-Gil Javier , Rubio-Giménez Víctor , Ameloot Rob , Tatay Sergio , Martí-Gastaldo Carlos
Published: August 2021

Dodecanoic acid provides good control on the synthesis of titanium MOF nanoparticles for straightforward fabrication of crystalline, porous thin films.
Glycosylated biomarker sensors: advancements in prostate cancer diagnosis
Authors: Abd Rahman Siti Fatimah , Md Arshad Mohd Khairuddin , Gopinath Subash C. B. , Fathil Mohamad Faris Mohamad , Sarry Frédéric , Ibau Conlathan
Published: August 2021

Early detection of prostate cancer using glycosylated biomarker sensors.
3-Nitro-coumarin synthesis via nitrative cyclization of aryl alkynoates using tert-butyl nitrite
Authors: Sau Sudip , Mal Prasenjit
Published: August 2021

tert-Butyl nitrite was used to synthesize 3-nitro-coumarin from aryl alkynoates and this nitrative cyclization proceeded via 5-exo-trig cyclization followed by ester migration in a cascaded manner.
Organocatalytic enantioselective reactions involving prochiral carbocationic intermediates
Authors: Lei Chuan-Wen , Mu Bo-Shuai , Zhou Feng , Yu Jin-Sheng , Zhou Ying , Zhou Jian
Published: August 2021

This feature article aims to summarize the exciting advances in organocatalytic enantioselective reactions involving prochiral carbocationic intermediates.
Pillararenes: fascinating planar chiral macrocyclic arenes
Authors: Chen Jin-Fa , Ding Jin-Dong , Wei Tai-Bao
Published: August 2021

This review overviews recent research in the planar chiral pillararene field in terms of enantioselective recognition, chiral switches, chirality sensing, asymmetric catalysis, metal–organic frameworks, circularly polarized luminescence, and permeable membranes.
Atom-efficient transition-metal-free arylation of N,O-acetals using diarylzinc reagents through Zn/Zn cooperativity
Authors: Borys Andryj M. , Gil-Negrete Jose M. , Hevia Eva
Published: August 2021

Operating via a special type of Zn/Zn′ cooperation, a new transition-metal free and atom efficient method of arylating N,O-acetals has been developed combining nucleophilic ZnPh2 with Lewis acidic Zn(C6F5)2.
Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer
Authors: Qiu Qi-Ming , Yang Guo-Yu
Published: August 2021

The isolated {Li@B12O18(OH)6} clusters are extended to the {Li@B12O22(OH)2} layer through condensation reactions for the first time.
First-principles prediction of infrared phonon and dielectric function in biaxial hyperbolic van der Waals crystal α-MoO3
Authors: Tong Zhen , Dumitrică Traian , Frauenheim Thomas
Published: August 2021

In this work, we predict all the infrared phonon modes and dielectric properties of α-MoO3 without using any fitting or assumed parameters from first-principles, which bridges the scientific gap for understanding the unreported infrared phonon modes for α-MoO3.
ReaxFF-MPNN machine learning potential: a combination of reactive force field and message passing neural networks
Authors: Xue Li-Yuan , Guo Feng , Wen Yu-Shi , Feng Shi-Quan , Huang Xiao-Na , Guo Lei , Li Heng-Shuai , Cui Shou-Xin , Zhang Gui-Qing , Wang Qing-Lin
Published: August 2021

ReaxFF-MPNN, a reactive force field model that combines the high accuracy of machine learning and the high efficiency of the classical force field, is reported.
Isotopic separation of helium through graphyne membranes: a ring polymer molecular dynamics study
Authors: Bhowmick Somnath , Hernández Marta I. , Campos-Martínez José , Suleimanov Yury V.
Published: August 2021

The rate of transmission of He isotopes through the nanopores of 2D graphdiyne and graphtriyne membranes has been investigated within cold to moderate temperature regime (10–250 K) by ring polymer molecular dynamics method.
Enhanced photocatalytic activity of the direct Z-scheme black phosphorus/BiOX (X = Cl, Br, I) heterostructures
Authors: Tian Sheng , Ding Yu-Feng , Cai Meng-Qiu , Chen Lang , Au Chak-Tong , Yin Shuang-Feng
Published: August 2021

Bismuth oxyhalides (BiOX), as a typical photocatalytic material, have attracted much attention due to their unique layered structure, non-toxicity and excellent stability.
Light- and temperature-dependent dynamics of chromophore and protein structural changes in bathy phytochrome Agp2
Authors: Merga Galaan , Lopez Maria Fernandez , Fischer Paul , Piwowarski Patrick , Nogacz Żaneta , Kraskov Anastasia , Buhrke David , Escobar Francisco Velazquez , Michael Norbert , Siebert Friedrich , Scheerer Patrick , Bartl Franz , Hildebrandt Peter
Published: August 2021

Time-resolved vibrational spectroscopies reveal that phototransformation of the Pfr dark state of bacterial phytochrome Agp2 follows a branched mechanism with a productive and non-productive pathway.
Load-dependent energy dissipation induced by the tip–membrane friction on suspended 2D materials
Authors: Zhan Hao , Tan Xinfeng , Xie Guoxin , Guo Dan
Published: August 2021

The stick-slip behavior on the tip–membrane interface could result in load-dependent curve hysteresis during AFM nanoindentation on 2D materials.
High time resolution measurements of droplet evaporation kinetics and particle crystallisation
Authors: Hardy D. A. , Archer J. , Lemaitre P. , Vehring R. , Reid J. P. , Walker J. S.
Published: August 2021

High-resolution inflight imaging and measurements of drying droplets enable the evaporation kinetics to be resolved and complex particle crystallisation mechanisms to be observed.
Revealing the high-resolution structures and electronic properties of ZnTPP and its derivatives formed by thermally induced cyclodehydrogenation on Au(111)
Authors: Xiong Wei , Ren Xiang , Da Binbin , Zhang Yong , Zhang Hui , Lu Jianchen , Cai Jinming
Published: August 2021

We extensively investigate the ZnTPP molecule and its thermally induced cyclodehydrogenation products on a Au(111) substrate. The intramolecular features of four cyclodehydrogenation products are characterized by bond-resolved STM.
Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)2(NCS)2]4−, [dcbpy = (4,4′-dicarboxy-2,2′-bipyridine)], via ab initio molecular dynamics
Authors: Perrella Fulvio , Petrone Alessio , Rega Nadia
Published: August 2021

Structural, solvation and vibrational features of the Ru(ii) complex [Ru(dcbpy)2(NCS)2]4− (N34−) in water solution have been investigated through ab initio molecular dynamics with a hybrid explicit/implicit solvation model.
Structural stability and evolution of half-metallicity in Ba2CaMoO6: interplay of hole- and electron-doping
Authors: Faiza-Rubab S. , Naseem Shahnila , Alay-e-Abbas Syed Muhammad , Zulfiqar M. , Zhao Y. , Nazir S.
Published: August 2021

Half-metallic ferromagnetic materials have attracted a lot of attention due to their probable technological applications in spintronics.
Ba2.5Pb1.5B12O22: structural transformation from a centrosymmetric to a noncentrosymmetric space group by introducing Pb into Ba2B6O11
Authors: Liu Kaitong , Han Jian , Pan Shilie
Published: August 2021

Introducing Pb2+ into Ba2B6O11 leads to a structural transformation from a centrosymmetric to a non-centrosymmetric space group.
2,2′-Bipyrimidine-based luminescent Ru(ii)/Ir(iii)–arene monometallic and homo- and hetero-bimetallic complexes for therapy against MDA-MB-468 and caco-2 cells
Authors: Roy Nilmadhab , Sen‡ Utsav , Moharana‡ Prithvi , Babu Lavanya Thilak , Kar Binoy , Vardhan Seshu , Sahoo Suban K. , Bose Bipasha , Paira Priyankar
Published: August 2021

2,2′-Bipyrimidine-based luminescent Ru(ii)/Ir(iii)-arene monometallic and homo- and hetero-bimetallic complexes were developed as potent anticancer agents to act against MDA-MB-468 and Caco-2 cells.
Recent advances in the synthesis and derivatization of N-heterocyclic carbene metal complexes
Authors: Voloshkin Vladislav A. , Tzouras Nikolaos V. , Nolan Steven P.
Published: August 2021

This Frontiers article highlights recent progress in the synthesis of N-heterocyclic carbene metal complexes and their derivatization.
Catalysis of CO2 reduction by diazapyridinophane complexes of Fe, Co, and Ni: CO2 binding triggered by combined frontier MO associations involving a SOMO
Authors: Sakaguchi Yuto , Call Arnau , Yamauchi Kosei , Sakai Ken
Published: August 2021

The Fe- and Co-based molecular catalysts are found to utilize multiple sets of frontier MO associations at the CO2 binding by including one of the SOMOs in a high-spin Fe(i) and Co(i) center, respectively, accelerating these oxidative addition steps.
Flow-electrochemical synthesis of Prussian Blue based nanozyme ‘artificial peroxidase’
Authors: Komkova Maria A. , Vetoshev Kirill R. , Andreev Egor A. , Karyakin Arkady A.
Published: August 2021

Fully electrochemical flow-through synthesis of Prussian Blue nanozymes that defeat peroxidase with a more than 200 times higher catalytic rate constant.
Hydrogels containing water soluble conjugates of silver(i) ions with amino acids, metabolites or natural products for non infectious contact lenses
Authors: Banti C. N. , Kapetana M. , Papachristodoulou C. , Raptopoulou C. P. , Psycharis V. , Zoumpoulakis P. , Mavromoustakos T. , Hadjikakou S. K.
Published: August 2021

The silver(i) complexes of glycine, urea and salicylic acid were dispersed in poly-hydroxyethyl-methacrylate to form new biomaterials. Their bioactivity makes them efficient candidates for the development of antimicrobial contact lenses.
Electrocatalytic nitrate reduction with Co-based catalysts: comparison of DIM, TIM and cyclam ligands
Authors: Kwon Hyuk-Yong , Braley Sarah E. , Madriaga Jose P. , Smith Jeremy M. , Jakubikova Elena
Published: August 2021

Over the past century, the global concentration of environmental nitrate has increased significantly. This has resulted in the contamination of drinking water and aquatic hypoxia, making the development of effective nitrate-reducing agents urgent.
Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties
Authors: Duan Wenzeng , Ji Honghan , Yang Zeren , Yao Qingxia , Huo Yanmin , Ren Xuerui , Zhao Jiaojiao , Gong Shuwen
Published: August 2021

Facilely synthesized planar chiral [2.2]paracyclophanyl-based boron fluoride complexes (3a–3d) with moderate quantum yields and large Stokes shifts both in solution and solid state were reported.
SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions
Authors: Shen Yu-Hsuan , Esper Alec M. , Ghiviriga Ion , Abboud Khalil A. , Schanze Kirk S. , Ehm Christian , Veige Adam S.
Published: August 2021

Combining strain-promoted azide–alkyne cycloaddition (SPAAC) and inorganic click (iClick) reactivity provides access to metal 1,2,3-triazolates.
Design of a synthetic enzyme cascade for the in vitro fixation of a C1 carbon source to a functional C4 sugar
Authors: Güner Samed , Wegat Vanessa , Pick André , Sieber Volker
Published: August 2021

We were able to design a synthetic enzyme cascade for the production of erythrulose, a functional tetrose, ultimately from formaldehyde.
Si-Gly-CD-PdNPs as a hybrid heterogeneous catalyst for environmentally friendly continuous flow Sonogashira cross-coupling
Authors: Ferlin Francesco , Sciosci Daniele , Valentini Federica , Menzio Janet , Cravotto Giancarlo , Martina Katia , Vaccaro Luigi
Published: August 2021

We have reported a waste-minimized protocol for the Sonogashira cross-coupling exploiting the safe use of a CPME/water azeotropic mixture and the utilization of a heterogeneous hybrid palladium catalyst supported onto a silica/β-cyclodextrin matrix in continuous flow.
An optimal method for magnesium purification and magnesium isotopic composition obtained by MC-ICP-MS
Authors: Liu Jinke , Han Guilin
Published: August 2021

An optimal method for magnesium purification and high-precision magnesium isotope measurements by MC-ICP-MS.
Determination of trace rare earth elements in uranium ore samples by triple quadrupole inductively coupled plasma mass spectrometry
Authors: Ding Xiaotong , Bu Wenting , Ni Youyi , Shao Xuepeng , Xiong Ke , Yang Chuting , Hu Sheng
Published: August 2021

A method for the determination of REEs in uranium ore samples by ICP-MS/MS with O2reaction and mass-shift detection.
Correction: Nano-bismuth sulfide based dispersive micro-solid phase extraction combined with energy dispersive X-ray fluorescence spectrometry for determination of mercury ions in waters
Authors: Pytlakowska Katarzyna , Malicka Ewa , Talik Ewa , Gągor Anna
Published: August 2021

Correction for ‘Nano-bismuth sulfide based dispersive micro-solid phase extraction combined with energy dispersive X-ray fluorescence spectrometry for determination of mercury ions in waters’ by Katarzyna Pytlakowska et al., J. Anal. At. Spectrom., 2021, 36, 786–795, DOI: 10.1039/D0JA00477D.
A bioinspired, passive microfluidic lobe filtration system
Authors: Clark Andrew S. , San-Miguel Adriana
Published: August 2021

Lobe filtration is a bioinspired, non-clogging microparticle filtration mechanism capable of high throughput processing. Simulations of complex velocity profiles provide a robust explanation for this microparticle filtration mechanism.
Sustainable glycerol carbonate electrolytes for Li-ion supercapacitors: performance evaluation of butyl, benzyl, and ethyl glycerol carbonates
Authors: Salari Maryam , Varela Jennifer Chapman , Zhang Heng , Grinstaff Mark W.
Published: August 2021

Substitution of flammable, toxic solvents in electrolytes with alternative green options is of significant commercial and environmental interest.
Purely organic and saturated red emitters for a non-doped electroluminescent device with an EQE of 6.3% and low efficiency roll-off
Authors: Chen Lei , He Xuehan , Zhao Yongbiao
Published: August 2021

Using a 2,1,3-naphthodiazole derivative as the fluorescent emitter, a non-doped red OLED has been obtained with a maximum LE of 5.3 cd A−1, a maximum EQE value of 6.3%, good CIE coordinates of (0.64, 0.35) and low efficiency roll-off feature.
Synthesis of novel unnatural α-amino acids (UAAs) containing 7-hydroxy-2,2-dimethyl-chroman using isoxazole as a linker
Authors: Raghavulu K. , Gudipati Ramakrishna , Basavaiah K. , Rumalla Chidananda Swamy , Yennam Satyanarayana , Behera Manoranjan
Published: August 2021

An efficient and novel method for the preparation of unnatural α-amino acids (UAAs) containing 7-hydroxy-2,2-dimethyl-chromanviaa 1,3-di-polar-cyloaddition reaction has been described.
Amine functionalization of N,N,N′,N′-tetramethyl-p-phenylenediamine for the electrosynthesis of a wide range of p-phenylenediamines in green conditions
Authors: Varmaghani Fahimeh , Abbasi Maryam
Published: August 2021

An efficient derivative of TMPD is introduced by amine functionalization. Despite TMPD, two-electron oxidation of this compound is stable. This property opens a window for the electrosynthesis of new phenylenediamines in green conditions.
Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions
Authors: Trivedi Manoj , Dubey Santosh Kumar , Kaur Gurmeet , Rath Nigam P.
Published: August 2021

Synthesis and characterization of new water-soluble Ru(ii)- and Ru(iv)-dmso complexes are reported which show good efficiency and selectivity for aqueous-phase nitrile hydration at 60 °C in air. Best performance is achieved using complex [RuCl2(dmso)3(NH3)]·PF6·Cl (3).
Design, synthesis and photophysical aspects of 1,2,3-triazole appended Schiff base functionalized silanes and silatranes
Authors: Singh Gurjaspreet , Priyanka  , Sushma  , Diksha  , Mohit  , Suman  , Kaur Jashan Deep , Saini Anamika , Satija Pinky
Published: August 2021

This article represents the synthesis of 1,2,3 triazoles allied Schiff base functionalized silanes and silatranes. The silane 5a and silatrane 6a were investigated for their photophysical potential via absorption and emission spectroscopy and found selective for Sn(ii).
Fundamental air stability in solid-state electrolytes: principles and solutions
Authors: Zhao Shu , Zhu Xinxin , Jiang Wei , Ji Zekai , Ling Min , Wang Liguang , Liang Chengdu
Published: August 2021

The atmospheric instability of solid state electrolytes (SSEs) was classified and introduced based on the principles and corresponding solutions, which is believed to trigger new research ideas in this area.
Nickel-catalyzed reductive coupling of unactivated alkyl bromides and aliphatic aldehydes
Authors: Cruz Cole L. , Montgomery John
Published: August 2021

Aliphatic aldehydes and alkyl bromides are reductively coupled using nickel catalysis. A BiOX ligand and 1,5-hexadiene paired with a silyl chloride and Mn as the terminal reductant are important features of the process.
Gallium oxide-stabilized oil in liquid metal emulsions
Authors: Shah Najam Ul Hassan , Kong Wilson , Casey Nathan , Kanetkar Shreyas , Wang Robert Y. , Rykaczewski Konrad
Published: August 2021

Mixing of liquid metal (LM) foam with low viscosity silicone oil creates stable and high thermal conductivity oil-in-LM emulsions. A thin film on the emulsion's exterior inhibits gallium induced aluminum embrittlement.
Time to Act: Confronting Systemic Racism in Communication Sciences and Disorders Academic Training Programs
Authors: Ellis Charles , Kendall Diane
Published: August 2021

Purpose

The intent of this tutorial is to radically shift engagement around the “types of questions” we ask around racism in communication sciences and disorders (CSD). We propose to move conversations away from diversity and inclusion and go deeper to look at the racist systems of oppression in higher education that have produced our predominantly White discipline. This low number of representations of racial minorities in CSD is extremely problematic and has deep, harmful, and far-reaching implications. The perpetuation of White production of knowledge and White culture harms minority students, faculty and clients, clinical service delivery, coursework content, and the research enterprise.

Conclusions

In this tutorial, we attempt to communicate the complexity of this issue as it relates to our profession and offer ideas that at least get the discussion started. In doing so, we (a) introduce the topic in the context of the history of racism in America and how White fragility makes this topic difficult to hear, (b) provide a problem statement specific to CSD, (c) introduce the concept of systems of oppression and how this concept can change how we face racism in CSD, and (d) provide future directions.