bluuebunny/crossref_metadata_2025 huggingface dataset:
Factors influencing therapy choice and clinical outcome in cerebral venous sinus thrombosis
Authors: Krajíčková Dagmar , Král Jiří , Herzig Roman , Klzo Ľudovít , Krajina Antonín , Havelka Jaroslav , Šimůnek Libor , Vyšata Oldřich , Van Quang Tran , Bar Michal , Vališ Martin
Published: December 2020

We aimed was to assess the factors influencing therapy choice and clinical outcome after 3–4 months in patients with cerebral venous sinus thrombosis (CVST). In a retrospective, bi-centric study, the set consisted of 82 consecutive CVST patients (61 females; mean age 33.5 ± 15.7 years). Following data were collected: baseline characteristics, presence of gender-specific risk factors (GSRF), location and extent of venous sinus impairment, clinical presentation, type of treatment, recanalization, presence of parenchymal lesions, and clinical outcome after 3–4 months (assessed using the modified Rankin Scale [mRS], with excellent outcome defined as mRS 0–1). Multivariate logistic regression analysis was used for statistical evaluation. After 3–4 months, complete recovery was achieved in 41 (50%) and excellent clinical outcome in 67 (81.7%) patients. Female sex (OR 0.11; p = 0.0189) and presence of focal neurologic deficit (OR 0.16; p = 0.0165) were identified as significant independent negative predictors and, the presence of GSRF (OR 15.63; p = 0.0011) as significant independent positive predictor of excellent clinical outcome. In conclusion, in our CVST patients, the presence of GSRF was associated with excellent clinical outcome, while the female sex itself was associated with poorer clinical outcome.
Establishment of a novel hepatitis B virus culture system using immortalized human hepatocytes
Authors: Akahori Yuichi , Kato Hiroki , Fujita Takashi , Moriishi Kohji , Tanaka Yasuhito , Watashi Koichi , Imamura Michio , Chayama Kazuaki , Wakita Takaji , Hijikata Makoto
Published: December 2020

Recent development of hepatitis B virus (HBV) culture systems has made it possible to analyze the almost all steps of the viral life cycle. However, the reproducibility of interaction between HBV and host cells seemed inaccurate in those systems because of utilization of cancer cell lines with a difference from hepatocytes in the majority of cases. In this study, in order to resolve this point, a novel HBV culture system using non-cancer-derived immortalized human hepatocytes derived cell lines, producing exogenous human sodium taurocholate cotransporting polypeptide, was developed. One of the cell clones, E/NtG8 cells, was permissive to both blood-borne HBV (HBVbb) and culture-derived recombinant HBV when cultured in the three-dimensional condition. Furthermore, the production of infectious HBV particles, which showed the similar physicochemical properties to HBVbb, was observed for about a month after HBVbb infection in this system, suggesting that it may reproduce whole steps of the HBV lifecycle under the condition analogous to human liver cells infected with HBV. This system seemed to contribute not only to find novel interactions between HBV and host cells but also to understand mechanism of HBV pathogenesis.
Combined effect of heart rate responses and the anti-G straining manoeuvre effectiveness on G tolerance in a human centrifuge
Authors: Tu Min-Yu , Chu Hsin , Lin You-Jin , Chiang Kwo-Tsao , Chen Chuan-Mu , Chen Hsin-Hui , Yang Chen-Shu , Lai Chung-Yu
Published: December 2020

Increased heart rate (HR) is a reaction to head-to-toe gravito-inertial (G) force. The anti-G straining manoeuvre (AGSM) is the crucial technique for withstanding a high-G load. Previous studies reported the main effects of HR only or AGSM only on G tolerance. We assessed the combined effect of HR and AGSM on the outcome of 9G profile exposure. A total of 530 attempts for the 9G profile were extracted to clarify the association of interest. Subjects with an AGSM effectiveness of less than 2.5G had a 2.14-fold higher likelihood of failing in the 9G profile. Trainees with HR increases of less than 20% in the first five seconds also had higher odds of 9G profile intolerance (adjusted OR 1.83, 95% CI 1.09–3.07). The adjusted OR of 9G profile disqualification was 2.93 (95% CI 1.19–7.20) for participants with smaller HR increases and lower AGSM effectiveness. The negative effect of a smaller HR increase on the outcome was likely to be affected by improved AGSM effectiveness (adjusted OR 1.26, 95% CI 0.65–2.42). We speculate that low AGSM effectiveness and a small HR increase were separately associated with failure of high-G challenge. Nonetheless, good AGSM performance seemed to reduce the negative effect of weak HR responses on the dependent variable.
Geographic monitoring for early disease detection (GeoMEDD)
Authors: Curtis Andrew , Ajayakumar Jayakrishnan , Curtis Jacqueline , Mihalik Sarah , Purohit Maulik , Scott Zachary , Muisyo James , Labadorf James , Vijitakula Sorapat , Yax Justin , Goldberg Daniel W.
Published: December 2020

Identifying emergent patterns of coronavirus disease 2019 (COVID-19) at the local level presents a geographic challenge. The need is not only to integrate multiple data streams from different sources, scales, and cadences, but to also identify meaningful spatial patterns in these data, especially in vulnerable settings where even small numbers and low rates are important to pinpoint for early intervention. This paper identifies a gap in current analytical approaches and presents a near-real time assessment of emergent disease that can be used to guide a local intervention strategy: Geographic Monitoring for Early Disease Detection (GeoMEDD). Through integration of a spatial database and two types of clustering algorithms, GeoMEDD uses incoming test data to provide multiple spatial and temporal perspectives on an ever changing disease landscape by connecting cases using different spatial and temporal thresholds. GeoMEDD has proven effective in revealing these different types of clusters, as well as the influencers and accelerators that give insight as to why a cluster exists where it does, and why it evolves, leading to the saving of lives through more timely and geographically targeted intervention.
The critical role of pore size on depth-dependent microbial cell counts in sediments
Authors: Park Junghee , Santamarina J. Carlos
Published: December 2020

Cell counts decrease with sediment depth. Typical explanations consider limiting factors such as water availability and chemistry, carbon source, nutrients, energy and temperature, and overlook the role of pore size. Our analyses consider sediment self-compaction, the evolution of pore size with depth, and the probability of pores larger than the microbial size to compute the volume fraction of life-compatible pores. We evaluate cell counts vs. depth profiles gathered at 116 sites worldwide. Results confirm the critical role of pore size on cell counts in the subsurface and explain much of the data spread (from ~ 9 orders of magnitude range in cell counts to ~ 2 orders). Cells colonize pores often forming dense biofilms, thus, cell counts in pores are orders of magnitude higher than in the water column. Similar arguments apply to rocks.
A biomolecular anthropological investigation of William Adams, the first SAMURAI from England
Authors: Mizuno Fuzuki , Ishiya Koji , Matsushita Masami , Matsushita Takayuki , Hampson Katherine , Hayashi Michiko , Tokanai Fuyuki , Kurosaki Kunihiko , Ueda Shintaroh
Published: December 2020

William Adams (Miura Anjin) was an English navigator who sailed with a Dutch trading fleet to the far East and landed in Japan in 1600. He became a vassal under the Shogun, Tokugawa Ieyasu, was bestowed with a title, lands and swords, and became the first SAMURAI from England. "Miura" comes from the name of the territory given to him and "Anjin" means "pilot". He lived out the rest of his life in Japan and died in Hirado, Nagasaki Prefecture, in 1620, where he was reportedly laid to rest. Shortly after his death, graveyards designated for foreigners were destroyed during a period of Christian repression, but Miura Anjin’s bones were supposedly taken, protected, and reburied. Archaeological investigations in 1931 uncovered human skeletal remains and it was proposed that they were those of Miura Anjin. However, this could not be confirmed from the evidence at the time and the remains were reburied. In 2017, excavations found skeletal remains matching the description of those reinterred in 1931. We analyzed these remains from various aspects, including genetic background, dietary habits, and burial style, utilizing modern scientific techniques to investigate whether they do indeed belong to the first English SAMURAI.
Multidisciplinary approach to COVID-19 risk communication: a framework and tool for individual and regional risk assessment
Authors: Parajuli Rishi Ram , Mishra Bhogendra , Banstola Amrit , Ghimire Bhoj Raj , Poudel Shobha , Sharma Kusum , Dixit Sameer Mani , Sah Sunil Kumar , Simkhada Padam , van Teijlingen Edwin
Published: December 2020

The COVID-19 pandemic has exceeded over sixty-five million cases globally. Different approaches are followed to mitigate its impact and reduce its spreading in different countries, but limiting mobility and exposure have been de-facto precautions to reduce transmission. However, a full lockdown cannot be sustained for a prolonged period. An evidence-based, multidisciplinary approach on risk zoning, personal and transmission risk assessment in near real-time, and risk communication would support the optimized decisions to minimize the impact of coronavirus on our lives. This paper presents a framework to assess the individual and regional risk of COVID-19 along with risk communication tools and mechanisms. Relative risk scores on a scale of 100 represent the integrated risk of influential factors. The personal risk model incorporates age, exposure history, symptoms, local risk and existing health condition, whereas regional risk is computed through the actual cases of COVID-19, public health risk factors, socioeconomic condition of the region, and immigration statistics. A web application tool (http://www.covira.info) has been developed, where anyone can assess their risk and find the guided information links primarily for Nepal. This study provides regional risk for Nepal, but the framework is scalable across the world. However, personal risk can be assessed immediately from anywhere.
Intravitreal ranibizumab reduced ocular blood flow and aqueous cytokine levels and improved retinal morphology in patients with diabetic macular edema
Authors: Mizui Toru , Noma Hidetaka , Yasuda Kanako , Kanemaki Tomoe , Goto Hiroshi , Shimura Masahiko
Published: December 2020

We investigated the relationship between aqueous cytokine levels, changes in ocular blood flow, and morphological and functional improvements after intravitreal ranibizumab injection (IRI) in treatment-naïve eyes with center-involving diabetic macular edema (DME). Thirty-three eligible patients with DME (33 eyes) were recruited. At the first IRI, we collected a sample of aqueous humor from each eye and measured levels of the cytokines/chemokines. Mean blur rate (MBR) was used to evaluate retinal and choroidal flow by laser speckle flowgraphy at the time of the first IRI and 1 month later. One month after IRI, both retinal and choroidal MBR had significantly decreased from baseline. The reduction ratio of the retinal MBR was significantly correlated with aqueous levels of monocyte chemotactic protein (MCP)-1 and interleukin-8, and with reduction of central macular thickness, but not with improvement of best corrected visual acuity. The reduction ratio of choroidal MBR showed no statistical correlation with any cytokine levels or changes in clinical parameters. We conclude that IRI reduces both retinal and choroidal blood flow in treatment-naïve DME. Reduction of retinal blood flow correlated with regression of morphological pathology, which is regulated by the initial aqueous levels of some cytokines.
Fontan-associated liver disease and hepatocellular carcinoma in adults
Authors: Kogiso Tomomi , Tokushige Katsutoshi
Published: December 2020

The Fontan operation creates a unique circulation, and is a palliative therapy for patients with single-ventricle congenital heart disease. Increased venous pressure and decreased cardiac output and hepatic venous drainage result in sinusoidal dilatation around the central veins. This causes congestion and hypoxia in the liver, leading to Fontan-associated liver disease (FALD). Non-invasive and invasive markers enable diagnosis and evaluation of the fibrosis status in chronic liver disease; however, these markers have not been validated in FALD. Additionally, regenerative nodules such as focal nodular hyperplasia (FNH) are frequently found. The severity of fibrosis correlates with the duration of the Fontan procedure and the central venous pressure. Cirrhosis is a risk factor for hepatocellular carcinoma (HCC), the annual risk of which is 1.5–5.0%. HCC is frequently difficult to diagnose and treat because of cardiac complications, coagulopathy, and congenital abnormalities. The mortality rate of FALD with liver cirrhosis and/or FALD-HCC was increased to ~ 29.4% (5/17 cases) in a nationwide survey. Although there is no consensus on the surveillance of patients with FALD, serial monitoring of the alpha fetoprotein level and imaging at 6-month intervals is required in patients with cirrhosis.
The acute effect in performing common range of motion tests in healthy young adults: a prospective study
Authors: Holzgreve F. , Maurer-Grubinger C. , Isaak J. , Kokott P. , Mörl-Kreitschmann M. , Polte L. , Solimann A. , Wessler L. , Filmann N. , van Mark A. , Maltry L. , Groneberg D. A. , Ohlendorf D.
Published: December 2020

In the application of range of motion (ROM) tests there is little agreement on the number of repetitions to be measured and the number of preceding warm-up protocols. In stretch training a plateau in ROM gains can be seen after four to five repetitions. With increasing number of repetitions, the gain in ROM is reduced. This study examines the question of whether such an effect occurs in common ROM tests. Twenty-two healthy sport students (10 m/12 f.) with an average age of 25.3 ± 1.94 years (average height 174.1 ± 9.8 cm; weight 66.6 ± 11.3 kg and BMI 21.9 ± 2.0 kg/cm2) volunteered in this study. Each subject performed five ROM tests in a randomized order—measured either via a tape measure or a digital inclinometer: Tape measure was used to evaluate the Fingertip-to-Floor test (FtF) and the Lateral Inclination test (LI). Retroflexion of the trunk modified after Janda (RF), Thomas test (TT) and a Shoulder test modified after Janda (ST) were evaluated with a digital inclinometer. In order to show general acute effects within 20 repetitions we performed ANOVA/Friedman-test with multiple comparisons. A non-linear regression was then performed to identify a plateau formation. Significance level was set at 5%. In seven out of eight ROM tests (five tests in total with three tests measured both left and right sides) significant flexibility gains were observed (FtF: p < 0.001; LI-left/right: p < 0.001/0.001; RF: p = 0.009; ST-left/right: p < 0.001/p = 0.003; TT-left: p < 0.001). A non-linear regression with random effects was successfully applied on FtF, RF, LI-left/right, ST-left and TT-left and thus, indicate a gradual decline in the amount of gained ROM. An acute effect was observed in most ROM tests, which is characterized by a gradual decline of ROM gain. For those tests, we can state that the acute effect described in the stretching literature also applies to the performance of typical ROM tests. Since a non-linear behavior was shown, it is the decision of the practitioner to weigh up between measurement accuracy and expenditure. Researchers and practitioners should consider this when applying ROM assessments to healthy young adults.
A promising approach in laser vitrectomy executed by plasma-mediated removal of vitreous body via a diode-pumped Q-switched Nd:YAG laser
Authors: Uthoff Daniel , Oravecz Rita , Kuehnl Romina , Rubin-Schwarz Friederike , Frentzen Matthias , Schrage Norbert , Meister Jörg
Published: December 2020

To examine the applicability of plasma-mediated vitreous body removal, a diode-pumped Q-switched Neodymium:YAG laser was used for a possible application in eye surgery/vitrectomy. On a total of 1500 porcine vitreous bodies, removal rates were evaluated by comparing different LaserVit-tip designs (Mark I/II Gauge 19 and Mark III Gauge 22). The Nd:YAG laser, operating at a wavelength of 1064 nm and a pulse duration of 4 ns, was utilized for vitreous body removal with respective settings of 2, 3 and 4 mJ and pulse repetition rates (cut rates) from 5 to 25 Hz (300–1500 /min) in 5 Hz-steps as well as for 100 Hz (6000 cuts/min). The exposure times were selected at 10, 20, 40 and 60 s, respectively. Comparative measurements were carried out with mechanical cutters (Gauge 20 and Gauge 23), applying a fixed cut rate of 800 /min (13.33 Hz) at identical exposure times. The LaserVit-tips showed successful vitreous body removal for all laser settings and exposure times (Mark I: 6.2 g/min, Mark II: 8.2 g/min at 1500 cuts/min and 3 mJ, Mark II: 10.1 g/min, Mark III: 3.6 g/min at 6000 cuts/min at 3 mJ). Similar tip-dimensions (Gauge 22laser and Gauge 23cutter) showed comparable removal rates of 3.6 g/minlaser and 1.3 g/mincutter with settings of 6000 cuts/min at 3 mJ (laser) and 800 cuts/min for the mechanical cutter. A diode-pumped Q-switched Nd:YAG laser can successfully and gently remove vitreous body. The efficiency of the laser was comparable to that of mechanical cutters in terms of quantity of material removed per time unit.
Somatostatin expressing GABAergic interneurons in the medial entorhinal cortex preferentially inhibit layerIII-V pyramidal cells
Authors: Kecskés Miklós , Henn-Mike Nóra , Agócs-Laboda Ágnes , Szőcs Szilárd , Petykó Zoltán , Varga Csaba
Published: December 2020

GABA released from heterogeneous types of interneurons acts in a complex spatio-temporal manner on postsynaptic targets in the networks. In addition to GABA, a large fraction of GABAergic cells also express neuromodulator peptides. Somatostatin (SOM) containing interneurons, in particular, have been recognized as key players in several brain circuits, however, the action of SOM and its downstream network effects remain largely unknown. Here, we used optogenetics, electrophysiologic, anatomical and behavioral experiments to reveal that the dendrite-targeting, SOM+ GABAergic interneurons demonstrate a unique layer-specific action in the medial entorhinal cortex (MEC) both in terms of GABAergic and SOM-related properties. We show that GABAergic and somatostatinergic neurotransmission originating from SOM+ local interneurons preferentially inhibit layerIII-V pyramidal cells, known to be involved in memory formation. We propose that this dendritic GABA–SOM dual inhibitory network motif within the MEC serves to selectively modulate working-memory formation without affecting the retrieval of already learned spatial navigation tasks.
Public–Private Partnerships to Advance Phenotypic Drug Discovery
Authors: Carragher Neil , Andrews Paul D. , Carter David , Howe Trevor , Barrault Denise , Ebner Daniel
Published: December 2020

In this chapter, we discuss the rise and rationale for public–private partnerships (PPP) in phenotypic drug discovery (PDD) from both the academic and industrial perspectives. We then give a review of the three most common “precompetitive” PPP in PDD formats, namely collaborative, co-localized and industry-supported, before finally providing an outlook/conclusion, highlighting the factors we feel contribute to successful PDD partnerships, and the directions we feel these partnerships could take to improve outcomes for both partners.
Identification of a Novel Class of Small Molecules for Spinal Muscular Atrophy Through High-throughput Phenotypic Screening
Authors: Swalley Susanne E. , Cheung Atwood K.
Published: December 2020

Spinal muscular atrophy (SMA) is a devastating neuromuscular disease that historically was the leading genetic cause of infant mortality, with no US Food and Drug Administration-approved therapies until 2016. SMA is a monogenic disease caused by the loss or mutation of the survival of motor neuron 1 (SMN1) gene. There is a nearly identical paralog gene, SMN2, that predominantly produces truncated and unstable SMN protein due to a silent mutation that results in exon 7 skipping in the majority of transcripts. However, SMN2 does produce a small amount of full-length protein, with an inverse correlation between disease severity and the number of SMN2 copies, indicating that increasing levels of SMN protein could help patients by preventing motor neuron degeneration. This chapter guides readers through the phenotypic discovery of low molecular weight splicing modulators that increase levels of SMN protein, highlighting the screening assay, compound triage, translation to relevant disease models, and mechanism of action studies. We will discuss key factors, of which some are SMA-specific and some are more generally applicable, that led to the successful development of these small molecules through a target-agnostic phenotypic approach.
Current advances in the detection of COVID-19 and evaluation of the humoral response
Authors: Huergo Maria Ana Cristina , Thanh Nguyen Thi Kim
Published: December 2020

SARS-CoV-2 and humoral response determinations to understand and control the spread of COVID-19.
Coherent anti-Stokes Raman scattering imaging of microcalcifications associated with breast cancer
Authors: Petrov Georgi I. , Arora Rajan , Yakovlev Vladoslav V.
Published: December 2020

Chemical imaging of calcifications was demonstrated in the depth of a tissue.
EPR imaging of sinapyl alcohol and its application to the study of plant cell wall lignification
Authors: Simon Clémence , Lion Cédric , Ahouari Hania , Vezin Hervé , Hawkins Simon , Biot Christophe
Published: December 2020

Bioorthogonal chemical reporter strategy can be successfully combined with EPR spectroscopy in plant tissues to detect the incorporation of a tagged monolignol into the lignin polymer.
A trifecta of g-C3N4: enhanced visible-spectrum absorption, increased structural distortion and boosted electronic-transfer dynamics
Authors: Liu Huanhuan , Wang Haifei , Zhang Fu , Xue Jierui , Zhang Jihua , Zhang Genqiang
Published: December 2020

CNNC with enhanced visible-spectrum absorption, increased structural distortion and boosted electronic-transfer dynamics results in prominent photocatalytic performance.
Self-healable hydrophobic polymer material having urethane linkages via a non-isocyanate route and dynamic Diels–Alder ‘click’ reaction
Authors: Raut Sagar Kumar , Behera Prasanta Kumar , Pal Tuhin Subhra , Mondal Prantik , Naskar Kinsuk , Singha Nikhil K.
Published: December 2020

A self-healable hydrophobic polymer material having urethane linkages via facile carbonylimidazole-amine (non-isocyanate) reaction and dynamic furan–maleimide Diels–Alder ‘click’ conjugation.
A cationic benzocorrole Cu(ii) complex as a highly stable antiaromatic system
Authors: Wu Fan , Xu Jialiang , Gao Hu , Li Chenhong , Xu Shuai , Uno Hidemitsu , Xu Yan , Zhao Yue , Shen Zhen
Published: December 2020

A highly stable 16π-electron antiaromatic system based on a monocationic tetrabenzocorrole Cu(ii) complex is reported.
Rapid build up of nanooptomechanical transduction in single crystals of a ruthenium-based SO2 linkage photoisomer
Authors: Cole Jacqueline M. , Gosztola David J. , Velazquez-Garcia Jose de J. , Grass Wang SuYin , Chen Yu-Sheng
Published: December 2020

Nanooptomechanical transduction in single crystals of [Ru(SO2)(NH3)4(H2O)]chlorobenzenesulfonate2 reaches maximal levels within 40 s at 100 K. This rapid build up of single-crystal optical actuation may be useful in solid-state optical devices.
Novel one-dimensional Cu@C nanofibers: direct solid-state synthesis and applications in electrocatalytic water splitting
Authors: Zhang Tianyu , Cheng Ruohui , Li Bingbing , Wang Cuilian , Guo Ying , Liu Junfeng , Wang Lianying
Published: December 2020

Novel 1D Cu@C nanofibers with carbon encapsulated Cu nanoparticles dispersed on carbon nanofibers were synthesized by in situ pyrolysis of organic-layered copper hydroxides for overall water splitting with superior activity and excellent durability.
Asymmetric sequential annulation/aldol process of 4-isothiocyanato pyrazolones and allenones: access to novel spiro[pyrrole–pyrazolones] and spiro[thiopyranopyrrole–pyrazolones]
Authors: Wang Wenyao , Bao Xiaoze , Wei Shiqiang , Nawaz Shah , Qu Jingping , Wang Baomin
Published: December 2020

A catalytic asymmetric sequential annulation/aldol reaction of 4-isothiocyanato pyrazolones and allenyl ketones has been developed to afford novel spiropyrazolones.
Efficient photocatalytic conversion of CH4 into ethanol with O2 over nitrogen vacancy-rich carbon nitride at room temperature
Authors: Yang Zhongshan , Zhang Qiqi , Ren Liteng , Chen Xin , Wang Defa , Liu Lequan , Ye Jinhua
Published: December 2020

An ethanol production rate as high as 281.6 μmol g−1 h−1 was achieved during the photocatalytic conversion of CH4 in the presence of O2 at room temperature.
Deterministic role of structural flexibility on catalytic activity of conductive 2D layered metal–organic frameworks
Authors: Momeni Mohammad R. , Zhang Zeyu , Shakib Farnaz A.
Published: December 2020

A combined quantum mechanics and classical molecular dynamics approach is used to unravel the effects of structural deformations and heterogeneity on catalytic activity of 2D π-stacked layered metal–organic frameworks.
Highly stable zinc metal anode enabled by oxygen functional groups for advanced Zn-ion supercapacitors
Authors: Zou Kangyu , Cai Peng , Deng Xinglan , Wang Baowei , Liu Cheng , Luo Zheng , Lou Xiaoming , Hou Hongshuai , Zou Guoqiang , Ji Xiaobo
Published: December 2020

Konjac glucomannan (KGM) featuring abundant oxygen functional groups has been elaborately designed to enhance Zn reversibility.
Correction: Cyclization of 5-alkynones with chromium alkylidene equivalents generated in situ from gem-dichromiomethanes
Authors: Murai Masahito , Taniguchi Ryuji , Kurogi Takashi , Moritani Shunsuke , Takai Kazuhiko
Published: December 2020

Correction for ‘Cyclization of 5-alkynones with chromium alkylidene equivalents generated in situ from gem-dichromiomethanes’ by Masahito Murai et al., Chem. Commun., 2020, 56, 9711–9714, DOI: 10.1039/D0CC03986A.
The reactive compatibilization of PLA/PP blends and improvement of PLA crystallization properties induced by in situ UV irradiation
Authors: Wen-Dong Tang , Guang-Jian He , Wei-Tao Huang , Xin-Liang Zou , Xian-Wu Cao , Xiao-Chun Yin
Published: December 2020

The crystallization rate of PLA in PLA/PP blends increased after reactive compatibilization during a reactive extrusion process.
Crystallisation studies of sodium acetate trihydrate – suppression of incongruent melting and sub-cooling to produce a reliable, high-performance phase-change material
Authors: Oliver David E. , Bissell Andrew J. , Liu Xiaojiao , Tang Chiu C. , Pulham Colin R.
Published: December 2020

Polymer additives reliably prevent incongruent melting of sodium acetate trihydrate when temperature-cycled over multiple thousands of melting and freezing cycles.
Realization of high efficiency AlGaN-based multiple quantum wells grown on nano-patterned sapphire substrates
Authors: Sun Yuanhao , Xu Fujun , Zhang Na , Lang Jing , Wang Jiaming , Liu Baiyin , Wang Liubing , Xie Nan , Fang Xuzhou , Kang Xiangning , Qin Zhixin , Yang Xuelin , Wang Xinqiang , Ge Weikun , Shen Bo
Published: December 2020

Growth of AlGaN-based multiple quantum wells (MQWs) with an IQE > 80% at room temperature has been realized on nano-patterned sapphire substrates. A DUV-LED device is then fabricated taking such high IQE MQWs as the active region.
Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4
Authors: Klepov Vladislav V. , Kocevski Vancho , Besmann Theodore M. , zur Loye Hans-Conrad
Published: December 2020

A series of Ca-containing lanthanide thiophosphates has been obtained and their structural evolution from 3D for LnPS4 and Cs0.3(Ln0.7Ca0.3)PS4 to 2D in Cs0.5(Ln0.5Ca0.5)PS4 was shown as a function of Ca content.
Interface synthesis for controllable construction of 2D Zn(Bim)(OAc) nanosheetsviaoil/water system and their application in oil
Authors: Wang Fei-Fei , Ding Haiyang , Tan Guang , Liu Zan , Cheng Zhi-Lin
Published: December 2020

Fabrication of 2D Zn(Bim)(OAc) MOFs-structured nanosheets based on the oil/water interface.
A physico-chemical investigation of highly concentrated potassium acetate solutions towards applications in electrochemistry
Authors: Stigliano Pierre L. , Pianta Nicolò , Bonizzoni Simone , Mauri Michele , Simonutti Roberto , Lorenzi Roberto , Vigani Barbara , Berbenni Vittorio , Rossi Silvia , Mustarelli Piercarlo , Ruffo Riccardo
Published: December 2020

Water-in-salt solutions of potassium acetate show ionic conductivity and electrochemical stability suitable for applications in electrochemistry.
Substituent effects on the photophysical properties of tris(salicylideneanilines)
Authors: Barboza Cristina A. , Gawrys Pawel , Banasiewicz Marzena , Kozankiewicz Bolesław , Sobolewski Andrzej L.
Published: December 2020

The role of the substitution of electron acceptor/donor groups on the photophysical properties of TSANs was investigated. The obtained results allow us to verify the dependence of the multiple emission bands on the functionalization of the TSAN core.
Effect of Fe substitution on structure and exchange interactions within and between the sublattices of frustrated CoCr2O4
Authors: Li Canglong , Wang Chunlei , Lei Qiankun , Barasa Godfrey Okumu , Fu Qingshan , Qiu Yang
Published: December 2020

Obtaining tunable magnetic states in geometrically frustrated multiferroic compound CoCr2O4 by tuning the sublattice magnetic coupling is indeed of high interest from the fundamental and applied points of view.
The Brønsted–Evans–Polanyi relationship in oxygen exchange of fuel cell cathode material SrCo0.9Ta0.1O3−δ with the gas phase
Authors: Chizhik Stanislav A. , Bychkov Sergey F. , Voloshin Bogdan V. , Popov Mikhail P. , Nemudry Alexander P.
Published: December 2020

Non-stoichiometric oxides ABO3−δ behave like homologous series continuous in δ.
Mechanistic insights into carbon dioxide utilization by superoxide ion generated electrochemically in ionic liquid electrolyte
Authors: Halilu Ahmed , Hayyan Maan , Aroua Mohamed Kheireddine , Yusoff Rozita , Hizaddin Hanee F.
Published: December 2020

Understanding the reaction mechanism that controls the one-electron electrochemical reduction of oxygen is essential for sustainable use of the superoxide ion (O2˙−) for CO2conversion.
Accurate and rapid prediction of pKa of transition metal complexes: semiempirical quantum chemistry with a data-augmented approach
Authors: Sinha Vivek , Laan Jochem J. , Pidko Evgeny A.
Published: December 2020

Data-augmented high-throughput QM approach to compute pKa of transition metal hydride complexes with hDFT accuracy and low cost.
Sulfur Kβ X-ray emission spectroscopy: comparison with sulfur K-edge X-ray absorption spectroscopy for speciation of organosulfur compounds
Authors: Qureshi Muhammad , Nowak Stanisław H. , Vogt Linda I. , Cotelesage Julien J. H. , Dolgova Natalia V. , Sharifi Samin , Kroll Thomas , Nordlund Dennis , Alonso-Mori Roberto , Weng Tsu-Chien , Pickering Ingrid J. , George Graham N. , Sokaras Dimosthenis
Published: December 2020

Sulfur Kβ non-resonant X-ray emission spectroscopy complements sulfur K-edge X-ray absorption spectroscopy in providing information on chemical speciation and electronic structure.
Interactions of a DNA G-quadruplex with TMAO and urea: a molecular dynamics study on co-solute compensation mechanisms
Authors: Oprzeska-Zingrebe Ewa Anna , Smiatek Jens
Published: December 2020

We study the individual and combined influence of TMAO and urea on a basket-type DNA G-quadruplex by means of atomistic molecular dynamics (MD) simulations.
Surface contacts strongly influence the elasticity and thermal conductivity of silica nanoparticle fibers
Authors: Cang Yu , Liu Bohai , Das Sudatta , Xu Xiangfan , Xie Jingli , Deng Xu , Fytas George
Published: December 2020

Granular materials are often encountered in science and engineering disciplines, in which controlling the particle contacts is one of the critical issues for the design, engineering, and utilization of their desired properties.
The significance of the metal cation in guanine-quartet – metalloporphyrin complexes
Authors: Stanojević Ana , Milovanović Branislav , Stanković Ivana , Etinski Mihajlo , Petković Milena
Published: December 2020

The distinct positions of the divalent metal ions with respect to the porphyrin ring are responsible for different interaction energies between metalloporphyrins and the guanine quartet.
Structure retrieval in liquid-phase electron scattering
Authors: Yang Jie , Nunes J. Pedro F. , Ledbetter Kathryn , Biasin Elisa , Centurion Martin , Chen Zhijiang , Cordones Amy A. , Crissman Christopher , Deponte Daniel P. , Glenzer Siegfried H. , Lin Ming-Fu , Mo Mianzhen , Rankine Conor D. , Shen Xiaozhe , Wolf Thomas J. A. , Wang Xijie
Published: December 2020

A novel analysis method for the direct retrieval of the real-space distribution of charged particle pairs from liquid-phase electron scattering.
Correction: A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry
Authors: Li Jun , Song Kaisheng , Behler Jörg
Published: December 2020

Correction for ‘A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry’ by Jun Li et al., Phys. Chem. Chem. Phys., 2019, 21, 9672–9682, DOI: 10.1039/C8CP06919K.
Correction: Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units
Authors: Wang Zhifan , Guo Minggang , Wang Fan
Published: December 2020

Correction for ‘Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units’ by Zhifan Wang et al., Phys. Chem. Chem. Phys., 2020, 22, 25103–25111, DOI: 10.1039/D0CP03800H.
Transition metal-catalyzed alkene isomerization as an enabling technology in tandem, sequential and domino processes
Authors: Fiorito Daniele , Scaringi Simone , Mazet Clément
Published: December 2020

One-pot reactions based on catalytic isomerization of alkenes not only offer the inherent advantages of atom-, step- and redox-economy but also enable the preparation of value-added products that would be difficult to access by conventional methods.
Direct current electric field regulates endothelial permeability under physiologically relevant fluid forces in a microfluidic vessel bifurcation model
Authors: Mohana Sundaram Prashanth , Rangharajan Kaushik K. , Akbari Ehsan , Hadick Tanner J. , Song Jonathan W. , Prakash Shaurya
Published: December 2020

In vitromodel for blood vessel on-chip reporting on the use of direct current electric fields (DC-EFs) to regulate vascular endothelial permeability, which is important for tissue regeneration and wound healing.
Lab-in-a-pencil graphite: A 3D-printed microfluidic sensing platform for real-time measurement of antipsychotic clozapine level
Authors: Senel Mehmet , Alachkar Amal
Published: December 2020

A novel lab-in-a-pencil graphite microfluidic sensing electrode (μFSE) was fabricated for real-time flow injection measurement of the antipsychotic drug clozapine (Clz).
Effect of α-tocopherol on the physicochemical, antioxidant and antibacterial properties of levofloxacin loaded hybrid lipid nanocarriers
Authors: Islan Germán A. , Gonçalves Lídia M. D. , Marto Joana , Duarte Aida , Alvarez Vera A. , Castro Guillermo R. , Almeida António J.
Published: December 2020

Non-toxic hybrid lipidic nanoparticles become a promising tool for enhanced lung delivery of levofloxacin in combination with antioxidant properties.
The synthesis of novel heterojunction h-YbFeO3/o-YbFeO3 photocatalyst with enhanced Fenton-like activity under visible-light
Authors: Tikhanova Sofia M. , Lebedev Lev A. , Martinson Kirill D. , Chebanenko Maria I. , Buryanenko Ivan V. , Semenov Valentin G. , Nevedomskiy Vladimir N. , Popkov Vadim I.
Published: December 2020

A simple solution combustion approach followed by heat treatment was used to successfully synthesize a novel h-YbFeO3/o-YbFeO3 nanocrystalline heterojunction with an enhanced photo-Fenton-like activity in the decolorization process of methyl violet.
Photocontrolled directional transport using water-in-oil droplets
Authors: Xiao Yang , Martino Nicolas , Wagner Klaudia , Spinks Geoffrey M. , Officer David L. , Wagner Pawel
Published: December 2020

Photocontrolled directional transport in both 2D and 3D of water-in-oil droplets was achieved by merocyanine/spiropyran photoisomerization in the droplet.
Rapid photocatalytic degradation of cationic organic dyes using Li-doped Ni/NiO nanocomposites and their electrochemical performance
Authors: Ranjitha R. , Meghana K. N. , Kumar V. G. Dileep , Bhatt Aarti S. , Jayanna B. K. , Ravikumar C. R. , Santosh Mysore Sridhar , Madhyastha H. , Sakai K.
Published: December 2020

This work reports novel bi-functional Li-doped Ni/NiO nanocomposites as potential candidates for energy storage and water treatment applications.
Hot off the Press
Authors: Hill Robert A. , Sutherland Andrew
Published: December 2020

A personal selection of 32 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products such as longisglucinol A from Hypericum longistylum.
Mechanical properties of 2D aggregates of oil droplets as model mono-crystals
Authors: Ono-dit-Biot Jean-Christophe , Soulard Pierre , Barkley Solomon , Weeks Eric R. , Salez Thomas , Raphaël Elie , Dalnoki-Veress Kari
Published: December 2020

We investigate the elastic and yielding properties of two dimensional defect-free mono-crystals made of highly monodisperse droplets.
Decoupling salt- and polymer-dependent dynamics in polyelectrolyte complex coacervates via salt addition
Authors: Morin Frances J. , Puppo Marissa L. , Laaser Jennifer E.
Published: December 2020

A method for changing the salt and polymer concentrations of coacervates independently is developed and used to investigate their rheology.
A dearth of young and bright massive stars in the Small Magellanic Cloud
Authors: Schootemeijer A. , Langer N. , Lennon D. , Evans C. J. , Crowther P. A. , Geen S. , Howarth I. , de Koter A. , Menten K. M. , Vink J. S.
Published: December 2020

Context. Massive star evolution at low metallicity is closely connected to many fields in high-redshift astrophysics, but is poorly understood so far. Because of its metallicity of ∼0.2 Z⊙, its proximity, and because it is currently forming stars, the Small Magellanic Cloud (SMC) is a unique laboratory in which to study metal-poor massive stars.

Aims. We seek to improve the understanding of this topic using available SMC data and a comparison to stellar evolution predictions.

Methods. We used a recent catalog of spectral types in combination with Gaia magnitudes to calculate temperatures and luminosities of bright SMC stars. By comparing these with literature studies, we tested the validity of our method, and using Gaia data, we estimated the completeness of stars in the catalog as a function of luminosity. This allowed us to obtain a nearly complete view of the most luminous stars in the SMC. We also calculated the extinction distribution, the ionizing photon production rate, and the star formation rate.

Results. Our results imply that the SMS hosts only ∼30 very luminous main-sequence stars (M ≥ 40 M⊙; L ≳ 3 ⋅ 105 L⊙), which are far fewer than expected from the number of stars in the luminosity range 3 ⋅ 104 <  L/L⊙ <  3 ⋅ 105 and from the typically quoted star formation rate in the SMC. Even more striking, we find that for masses above M ≳ 20 M⊙, stars in the first half of their hydrogen-burning phase are almost absent. This mirrors a qualitatively similar peculiarity that is known for the Milky Way and Large Magellanic Cloud. This amounts to a lack of hydrogen-burning counterparts of helium-burning stars, which is more pronounced for higher luminosities. We derived the H I ionizing photon production rate of the current massive star population. It agrees with the H α luminosity of the SMC.

Conclusions. We argue that a declining star formation rate or a steep initial mass function are unlikely to be the sole explanations for the dearth of young bright stars. Instead, many of these stars might be embedded in their birth clouds, although observational evidence for this is weak. We discuss implications for the role that massive stars played in cosmic reionization, and for the top end of the initial mass function.
Bewertung des Gesprächsverhaltens nach Schädel-Hirn-Trauma mit dem La Trobe Communication Questionnaire (LCQ): Erste Ergebnisse der deutschen Replikationsstudie an neurologisch gesunden Kontrollprobanden
Authors: Büttner-Kunert J. , Anzenberger M. , Müller V. P. , Douglas J.
Published: December 2020

Der La Trobe Communication Questionnaire (LCQ) ist ein Verfahren, um Veränderungen des Gesprächsverhaltens nach Schädelhirntrauma zu erheben. Die vorliegende Version des LCQ ist im deutschsprachigen Raum derzeit der einzige psychometrisch untersuchte Fragebogen, mit dem kognitive Kommunikationsstörungen bei SHT sowohl aus der Perspektive von Betroffenen als auch Bezugspersonen bewertet werden können. Ziel der direkten Replikationsstudie war es zu prüfen, ob die deutsche Adaptation des LCQ zu vergleichbaren Ergebnissen in der Selbst- und Fremdeinschätzung führt wie die australische Originalversion. In dieser Pilotstudie wurde an einer Stichprobe von 160 Probanden (= 80 Dyaden) überprüft, ob sich bei neurologisch gesunden Probanden in Bezug auf die Selbst- und Fremdeinschätzung ähnliche Resultate zeigen wie in der Originalversion: Die Selbstauskunft sollte im Vergleich zur Fremdauskunft kritischer ausfallen, was sich in einem höheren Punktwert im LCQ widerspiegeln sollte. Zudem sollten keine signifikanten Mittelwertsunterschiede für die Selbst- bzw. Fremdbeurteilung zwischen der Originalversion und der deutschsprachigen Version vorliegen. In der vorliegenden Studie konnten die wichtigsten Ergebnisse der Originalstudie repliziert werden, was die Validität des LCQ untermauert.
COVID-19-Pandemie – Rationalität statt Regelungschaos
tut not
Authors: Heudorf Ursel
Published: December 2020

Die COVID-19-Politik (nicht das Virus SARS-CoV-2 selbst) hat das Land im Griff. Mit
den seit Anfang Oktober steigenden Infektionszahlen werden Regelungen über
Regelungen erlassen von Sperrstunde, Versammlungseinschränkungen,
verschärfter Maskenpflicht bis hin zum Beherbergungsverbot –
verbunden mit der Drohung, dass, wenn dies nicht wirke, ein neuer Lockdown
unerläßlich sei. Ohne die sich abzeichnende Wirkung der vorherigen
Maßnahmen abzuwarten, beschließt die Politik rasch einen weiteren
sog. „Lockdown light“. Die Gesundheitsämter schaffen die
Nachverfolgung nicht mehr? Kein Problem: die Politik schickt Soldaten. Die
Ordnungsämter sind mit der Kontrolle der vielen Verordnungen
überfordert? Kein Problem: die Politik schickt die Bundespolizei.
Sensitivity of High-Pitch Dual-Source Computed Tomography for the Detection of Anomalous Pulmonary Venous Connection in Infants
Authors: Well Lennart , Weinrich Julius Matthias , Meyer Mathias , Kehl Torben , Salamon Johannes , Rüffer André , Adam Gerhard , Herrmann Jochen , Groth Michael
Published: December 2020

Purpose To evaluate the sensitivity, specificity, and interobserver reliability of high-pitch dual-source computed tomography angiography (CTA) in the detection of anomalous pulmonary venous connection (APVC) in infants with congenital heart defects and to assess the associated radiation exposure.

Materials and Methods 78 pulmonary veins in 17 consecutively enrolled patients with congenital heart defects (6 females; 11 males; median age: 6 days; range: 1–299 days) were retrospectively included in this study. All patients underwent high-pitch dual-source CTA of the chest at low tube voltages (70 kV). APVC was evaluated independently by two radiologists. Sensitivity, specificity, positive (PPV) and negative predictive values (NPV), and interobserver agreement were determined. For standard of reference, one additional observer reviewed CT scans, echocardiography reports, clinical reports as well as surgical reports. In cases of disagreement the additional observer made the final decision based on all available information.

Results Detection of APVC with high-pitch dual-source CTA revealed a good sensitivity (91 %) and specificity (99 %), with PPV and NPV of 98 % and 97 %. Interobserver agreement was almost perfect (Kappa = 0.84). The median DLP was 3.8 mGy*cm (IQR 3.3–4.7 mGy*cm) and the median radiation dose was 0.33 mSv (IQR 0.26–0.39 mSv).

Conclusion High-pitch dual-source CTA in infants with congenital heart defects allows for accurate and reliable assessment of APVC at a low radiation dose.

Key Points: 

Citation Format
Spondylodiszitis
Authors: von der Höh Nicolas Heinz , Völker Anna , Pieroh Philipp , Heyde Christoph-E.
Published: December 2020

Die hier vorliegende Arbeit zeigt den aktuellen Stand der Wissenschaft zur Thematik „Spondylodiszitis – Diagnostik und Therapie“, orientiert an der kürzlich erschienenen Leitlinie Spondylodiszitis (S2K) (Registernummer 151–001, Diagnostik und Therapie der Spondylodiszitis S2K, https://www.awmf.org/leitlinien/detail/ll/151-001.html) mit Fokus auf die Notfallsituation sowie das präklinische und klinische Management.
Unmet Needs for Transdermal Patch Management in Electronic Medication Administration Records: An Analysis of Data from 66 Aged Care Facilities
Authors: Raban Magdalena Z. , Baysari Melissa T. , Jorgensen Mikaela L. , Tariq Amina , Georgiou Andrew , Westbrook Johanna I.
Published: December 2020

Background Transdermal medication patches have caused serious adverse events in residential aged care facilities (RACFs). Preliminary research suggests that facilities are using a workaround consisting of manually entered reminders in their electronic medication administration records (eMARs) to prompt staff to check and remove patches, because the eMAR does not support these tasks. However, the prevalence and factors associated with use of this workaround among facilities is unknown.

Objectives The objectives of this study were to (1) examine the frequency and consistency with which manual reminders to check and remove transdermal patches were used in facility eMARs, and (2) identify resident and facility factors associated with reminder use, to inform eMAR redesign.

Methods This was a retrospective cross-sectional analysis of eMAR data from 66 Australian RACFs including 4,787 permanent residents, aged ≥65 years in January 2017. Prevalence of the use of reminders to check and remove patches, and consistency in their application within facilities were examined. Generalized estimating equations were used to determine factors associated with use of manual reminders.

Results One in five (n = 937) residents used a patch, and 83.6% of patches contained opioids, a high-risk medicine. 56.9% of facilities implemented manually entered check patch reminders in the eMAR, and 72.3% implemented remove reminders. The reminders were applied inconsistently, with only half of these facilities having reminders for all residents with patches. Residents in facilities in regional areas were more likely to have a check reminder compared with those in major cities (adjusted odds ratio = 4.72 [95% confidence interval: 1.69–13.20]).

Conclusion Transdermal patches containing high-risk medicines are frequently used in RACFs, but their safe administration is not supported by a widely implemented eMAR. The frequent, but inconsistent use of a workaround to manually enter reminders indicates an unmet need for new eMAR functionality to improve safety.