bluuebunny/crossref_metadata_2025 huggingface dataset:
Vocabulary Learning Strategies of the “Good” Learner
Authors: ÇÖKER Berna , YILMAZ Vesile Gül
Published: September 2020

Within the existing literature of vocabulary research, there has long been a search for the characteristics of the good learner (Ellis, 1994, p. 546-50; Naiman et al., 1996; Stern 1975, p.316), which was most probably triggered with
the observation that some learners somehow outperform the others receiving the same training (Pavicic-Takac, 2008, p. 58). This boasted the interest in the strategies learners employ to learn a new language. This interest also
applies for vocabulary learning, which is a crucial element of language learning (Moir & Nation, 2008). By determining the shared pattern of strategies employed by good learners, it will be possible to distinguish the effective
strategies used in vocabulary learning. In this respect, the purpose of this research is to determine the English vocabulary learning strategies (VLSs) used by Turkish graduate students with high vocabulary-levels. To this end,
data were collected from 128 Turkish graduate students pursuing their master’s or doctoral education at 27 universities in Turkey and 21 universities in the UK via Vocabulary Levels Test (Schmitt et al., 2001, p. 82-88) and a 54-item
Vocabulary Learning Strategies Questionnaire, developed by the researcher. Students’ vocabulary levels were determined by calculating their correct answers at each of the five word-levels. The study data were analysed and 53 good
learners who achieved 24 and above at all levels were identified. An average score of 24 and above out of 30 items meant the student had mastered that level. The results revealed that good learners most commonly used Discovery-Determination
strategies which are employed to determine the meaning of a word when one meets it for the first time. Another finding of the research was that language learning context affected the overall use and choice of good learner’s VLSs.
In the overall usage of VLS’s, a higher frequency of VLS’s were employed by EFL learners than their ESL counterparts. In the overall choice of VLSs, good learners from both the ESL and EFL context chose to use Discovery-Determination
strategies and Consolidation-Metacognitive strategies more frequently than the other strategy groups.
A Novel Mathematical Equation for a Noninvasive Determination of the Number of Alveoli of the Human Lung
Authors: Udema Ikechukwu I.
Published: September 2020

Background: There had always been a spirited effort in understanding the transport of air or molecular oxygen plus other gases from alveolar air space into the pulmonary capillaries and from the latter back into the former using mathematical models; the determination of the number of alveoli using cadaver and invasive and partially noninvasive methods have been made. There is a need for a noninvasive method of mathematical nature, with evaluative, diagnostic, and prognostic application.

Objectives: The objectives of this research were to derive a mathematical equation for the noninvasive determination of the number of alveoli during rest and physical activity and elucidate the usefulness and advantage of the model over known methods.

Methods: Theoretical and computational (calculational) methods; data in the literature were substituted into the model mathematical equation for the computation of the number of alveoli in the human lungs.

Results and Discussion: The computed number (Nalv) of alveoli differed from one country or subcontinental region to another. The Nalv for the male were expectedly larger than for the female subjects.

Conclusion: The mathematical equation for totally noninvasive determination by computation is derivable and was derived. The total number (Nalv) of alveoli mobilised for function is a function of the width (d) of the nares (d 22/15), rate (Rv) of gas flow , and radius (ralv) of a functional alveolus . The equation has the potential to be of diagnostic, evaluative and prognostic value in medical practice. This new computational approach could be faster than other known approaches for the determination of the Nalv. A noninvasive approach by computation, relying on other noninvasively determined respiratory parameters, can eliminate the possibility of tissue damage.
Cavitation‐Inducible Mesoporous Silica–Titania Nanoparticles for Cancer Sonotheranostics
Authors: Lee Jeongjin , Kim Jae‐Hyun , You Dong Gil , Kim Sohyun , Um Wooram , Jeon Jueun , Kim Chan Ho , Joo Hyeyeon , Yi Gi‐Ra , Park Jae Hyung
Published: September 2020

Sonodynamic therapy has received increasing attention for cancer treatments as an alternative to photodynamic therapy. However, its clinical applications have been limited by the lack of a sonosensitizer that is capable of producing sufficient amounts of reactive oxygen species (ROS) in response to ultrasound (US) exposure. Herein, PEGylated mesoporous silica–titania nanoparticles (P‐MSTNs) are prepared and used as US‐responsive nanocarriers for cancer sonotheranostics. Perfluorohexane (PFH), which is chosen as the gas precursor, is physically encapsulated into P‐MSTNs using the oil‐in‐water emulsion method. Owing to the vaporization of the gas precursor, PFH@P‐MSTNs (137 nm in diameter) exhibit a strong photoacoustic signal in vivo for at least 6 h. Compared to P‐MSTNs, PFH@P‐MSTNs generate significantly higher amounts of ROS due to the nanobubble‐induced cavitation in the presence of US. When systemically administered to tumor‐bearing mice, PFH@P‐MSTNs effectively accumulate in the tumor site due to the passive targeting mechanism. Consequently, PFH@P‐MSTNs show much higher antitumor efficacy than P‐MSTNs due to the enhanced cavitation‐mediated ROS generation in response to US exposure. It is considered that PFH@P‐MSTNs may hold significant potential for cancer sonotheranostics.
Full Manipulation of the Power Intensity Pattern in a Large Space‐Time Digital Metasurface: From Arbitrary Multibeam Generation to Harmonic Beam Steering Scheme
Authors: Shabanpour Javad
Published: September 2020

Beyond the scope of space‐coding metasurfaces, space‐time digital metasurfaces can substantially expand the application scope of digital metamaterials. In this paper, by adopting a superposition operation of terms with unequal coefficients, Huygens' principle, and a proper time‐varying biasing mechanism, some useful closed‐form formulas in the class of large digital metasurfaces are presented for predicting the absolute directivity of scatted beams. Moreover, in the harmonic beam steering scheme, by applying several suitable assumptions, two separate expressions are derived for calculating the exact total radiated power at harmonic frequencies and total radiated power for scattered beams located at the end‐fire direction. Despite the simplifying assumptions applied, it is proved that the provided formulas can still be a good and fast estimate for developing a large digital metasurface with a predetermined power intensity pattern. The effect of quantization level and metasurface dimensions as well as the limitation on the maximum scan angle in harmonic beam steering are addressed. Several demonstrative examples numerically demonstrated through MATLAB software and the good agreement between simulations and theoretical predictions are observed. The author believes that the proposed straightforward approach discloses a new opportunity for various applications such as multiple‐target radar systems and communication.
Urban evaporative consumptive use for water‐scarce cities in the United States and Mexico
Authors: Alger Jessica , Mayer Alex , Kumar Saurav , Granados‐Olivas Alfredo
Published: September 2020

In this work, we estimate urban evaporative consumptive use (urban ECU) in three cities in a semiarid region experiencing water scarcity: El Paso, Texas, and Las Cruces, New Mexico, in the United States and Ciudad Juárez, Chihuahua, in Mexico. Urban ECU includes vegetation and bare soil evapotranspiration (ET) and evaporation from open water, water supply infrastructure losses, and building evaporative coolers. Three independent methods were used to estimate urban ECU from individual ECU components and from utility accounting data. The three methods produced urban ECU estimates that varied by an average of 24%. Most of the disagreement was attributed to potential overestimation of vegetation and bare soil ET. Vegetation and bare soil ET account for up to 90% of total urban ECU. Urban ECU accounts for up to 60% of total annual water demand. Per capita ECU from the U.S. cities is, on average, 149 m3/capita/year, compared with 51 m3/capita/year for Ciudad Juárez.
Surface electrocardiographic characteristics in coronavirus disease 2019: repolarization abnormalities associated with cardiac involvement
Authors: Chen Liang , Feng Yi , Tang Jia , Hu Wei , Zhao Ping , Guo Xiaoxiao , Huang Ninghao , Gu Yuwei , Hu Linjie , Duru Firat , Xiong Chenglong , Chen Mingquan
Published: September 2020

Aims

The coronavirus disease 2019 (COVID‐19) has spread rapidly around the globe, causing significant morbidity and mortality. This study aims to describe electrocardiographic (ECG) characteristics of COVID‐19 patients and to identify ECG parameters that are associated with cardiac involvement.

Methods and results

The study included patients who were hospitalized with COVID‐19 diagnosis and had cardiac biomarker assessments and simultaneous 12‐lead surface ECGs. Sixty‐three hospitalized patients (median 53 [inter‐quartile range, 43–65] years, 76.2% male) were enrolled, including patients with (n = 23) and without (n = 40) cardiac injury. Patients with cardiac injury were older, had more pre‐existing co‐morbidities, and had higher mortality than those without cardiac injury. They also had prolonged QTc intervals and more T wave changes. Logistic regression model identified that the number of abnormal T waves (odds ratio (OR), 2.36 [95% confidence interval (CI), 1.38–4.04], P = 0.002) and QTc interval (OR, 1.31 [95% CI, 1.03–1.66], P = 0.027) were independent indicators for cardiac injury. The combination model of these two parameters along with age could well discriminate cardiac injury (area the under curve 0.881, P < 0.001) by receiver operating characteristic analysis. Cox regression model identified that the presence of T wave changes was an independent predictor of mortality (hazard ratio, 3.57 [1.40, 9.11], P = 0.008) after adjustment for age.

Conclusions

In COVID‐19 patients, presence of cardiac injury at admission is associated with poor clinical outcomes. Repolarization abnormalities on surface ECG such as abnormal T waves and prolonged QTc intervals are more common in patients with cardiac involvement and can help in further risk stratification.
Tragacanth gum‐based pH‐responsive magnetic hydrogels for “smart” chemo/hyperthermia therapy of solid tumors
Authors: Sayadnia Soughand , Arkan Elham , Jahanban‐Esfahlan Rana , Sayadnia Sahar , Jaymand Mehdi
Published: September 2020

The drug delivery performances of pH‐responsive magnetic hydrogels (MHs) composed of tragacanth gum (TG), poly(acrylic acid) (PAA), and Fe3O4 nanoparticles (NPs) were investigated in terms of physicochemical as well as biological features. The fabricated drug delivery systems (DDSs) were analyzed using Fourier transform infrared spectroscopy, X‐ray diffraction, vibrating sample magnetometer, scanning electron microscopy, and transmission electron microscopy. The synthesized MHs were loaded with doxorubicin hydrochloride (Dox) as a universal model anti‐cancer drug. The MHs showed excellent Dox loading and encapsulation efficiencies, mainly due to strong hydrogen bonding and electrostatic interaction between the drug and polymeric matrix, as well as porous micro‐structures of the fabricated MHs. The drug‐loaded MHs showed negligible drug release values in physiological condition. In contrast, in cancerous condition (pH 5.0), both MHs exhibited highest drug release values that qualified them as “smart” DDSs. The cytocompatibilities of the MHs as well as the cytotoxicity of the Dox‐loaded MHs were investigated against human epidermoid‐like carcinoma (Hela) cells through MTT assay. In addition, hyperthermia therapy induced by Fe3O4 NPs was applied to locally raise temperature inside the Hela cells at 45 ± 3°C to promote cell death. As a result, the Dox‐loaded MHs can be considered as potential DDSs for chemo/hyperthermia therapy of solid tumors.
Machine learning approaches to identify and design low thermal conductivity oxides for thermoelectric applications
Authors: Tewari Abhishek , Dixit Siddharth , Sahni Niteesh , Bordas Stéphane P.A.
Published: September 2020

The search space for new thermoelectric oxides has been limited to the alloys of a few known systems, such as ZnO, SrTiO3, and CaMnO3. Notwithstanding the high power factor, their high thermal conductivity is a roadblock in achieving higher efficiency. In this paper, we apply machine learning (ML) models for discovering novel transition metal oxides with low lattice thermal conductivity (

$ {k}_L $

). A two-step process is proposed to address the problem of small datasets frequently encountered in material informatics. First, a gradient-boosted tree classifier is learnt to categorize unknown compounds into three categories of

$ {k}_L $

: low, medium, and high. In the second step, we fit regression models on the targeted class (i.e., low

$ {k}_L $

) to estimate

$ {k}_L $

with an

$ {R}^2>0.9 $

. Gradient boosted tree model was also used to identify key material properties influencing classification of

$ {k}_L $

, namely lattice energy per atom, atom density, band gap, mass density, and ratio of oxygen by transition metal atoms. Only fundamental materials properties describing the crystal symmetry, compound chemistry, and interatomic bonding were used in the classification process, which can be readily used in the initial phases of materials design. The proposed two-step process addresses the problem of small datasets and improves the predictive accuracy. The ML approach adopted in the present work is generic in nature and can be combined with high-throughput computing for the rapid discovery of new materials for specific applications.
Which Household Emergency Plans are More Helpful in Tornadoes? Through the Lens of Gerontology
Authors: Cong Zhen , Liang Daan , Luo Jianjun
Published: September 2020

Objective:

This study investigated how the effectiveness of household emergency plans during tornadoes was associated with family discussions, and the attributes of the plan for different age groups.

Methods:

A telephone survey was conducted in 2014, one year after two 2013 Enhanced Fujita 4/5 tornadoes. The working sample included 223 respondents who reported having a household emergency plan before the tornadoes. The latent class analysis was used to identify the patterns of the plans and develop a typology based on their content. Logistic regression was used to examine predictors for plan effectiveness.

Results:

Two classes of plans were identified: quality plans that were rich in content and limited plans that had lower levels of content richness. Older adults were less likely to have quality plans and less likely to have family discussions. Quality of the plan and discussions with family members increased plan effectiveness among older adults, but not younger adults.

Conclusions:

Better emergency planning could be more important for older than for younger adults. The findings were discussed from a gerontological perspective that focuses on older adults’ unique needs, vulnerabilities, and resilience factors.
Evaluation of COVID-19 Surveillance Strategy in Ecuador
Authors: Cañizares Fuentes Ricardo , Aroca Rubén , Blasco Carlos Miquel
Published: September 2020

Objectives:

Evaluate the relevance of the coronavirus disease 2019 (COVID-19) positive case detection policy or model implemented by the Ministry of Public Health (MPH) of Ecuador and to compare it with the experiences of other countries.

Methods:

Data contained the daily reports publicized by the MPH. The formulations were carried out under the Conditioned Probability modality applying Bayes’ Theorem. All the COVID-19 tests applied in relation to the confirmed cases per million inhabitants were considered to obtain their level of positivity, and compared with the experience of Iceland and South Korea.

Results:

The probability of detecting positive cases of COVID-19 in Ecuador was higher than Iceland and South Korea, because the diagnostic tests were aimed at symptomatic patients, without identifying asymptomatic or mild symptomatic, who play an important role in the transmission of the disease. In addition, many symptomatic patients were examined but will remain undiagnosed due to the unavailability of tests and the low quality of many of them.

Conclusions:

The daily reports on the behavior of the COVID-19 issued by the Ecuadorian government do not adequately represent the growth in the number of those infected each day, nor the actual behavior of the epidemic, affecting possible control measures.
Close(d) Reading and the “Potential Space” of the Literature Classroom after Apartheid
Authors: Highman Kate
Published: September 2020

This article explores psychoanalyst D. W. Winnicott’s ideas about play and “transitional space” or “potential space” in relation to reading, pedagogy, and the legacy of apartheid in South African universities. Following the work of Carol Long, who argues that “apartheid institutions can be understood as the opposite of transitional spaces,” the author draws on her experiences of teaching in the English Department of the University of the Western Cape to reflect on how pedagogy is shaped by institutional culture. The article focuses particularly on “close reading” in the South African university classroom and how a rigid understanding of it has sometimes closed and constrained the experience of reading for students in order to argue for a more open model of “close reading” that values the immersive and creative aspects of reading as well as the analytic, following Winnicott’s understanding of meaningful cultural experience as rooted in play.
Business and Human Rights: The Evolving International Agenda
Authors: Ruggie John Gerard
Published: September 2020

The state-based system of global governance has struggled for more than
a generation to adjust to the expanding reach and growing influence of
transnational corporations. The United Nations first attempted to establish
binding international rules to govern the activities of transnationals in
the 1970s. That endeavor was initiated by developing countries as part of a
broader regulatory program with redistributive aims known as the New
International Economic Order. Human rights did not feature in this
initiative. The Soviet bloc supported it while most industrialized countries
were opposed. Negotiations ground to a halt after more than a decade, though
they were not formally abandoned until 1992.
Effect of feeding hay vs. silages of various types to dairy cows on feed intake, milk composition and coagulation properties
Authors: Manzocchi Elisa , Hengartner Werner , Kreuzer Michael , Giller Katrin
Published: September 2020

This research paper addresses the hypotheses (1) that milk produced from hay-fed cows differs from that of silage-fed cows and (2) that silage type has an important impact, too. Four diets differing in forage type but with equal estimated milk production potential and a forage:concentrate ratio of 0.85 : 0.15 were compared regarding their effect on feed intake, milk yield and milk properties. The forages tested were hay, grass silage, conventional short-chopped and long-chopped maize silage subjected to a novel processing technology (Shredlage®). Twenty-four dairy cows were fed two of the four diets in two consecutive runs in an incomplete (4 × 2) Latin-square design (n = 12 per diet). Each experimental period lasted 22 d, with 12 d of adaptation and 10 d of sampling. During sampling, feed intake and milk yield were recorded daily, milk composition and coagulation properties were determined four times. The composition of the diet ingredients was analysed weekly. Data were analysed with a mixed model considering feed, period and their interaction as fixed effects. Stage of lactation, milk yield and milk composition from the pre-experimental period were used as covariates in the model. Dry matter intake was lower with the long-chopped processed maize silage compared to the other three groups. There were some diet differences in intakes of net energy for lactation and absorbable protein in the duodenum, but this did not result in changes in milk yield. The milk fat content was higher with the grassland-based diets compared to the maize silage diets. No treatment effect on milk acidity and rennet coagulation properties was observed. In conclusion, there were no indications for specific physico-chemical properties of milk from a hay-based diet, and maize processing technology was not of large effect either. Future investigations should focus on sensory differentiation of the milk produced with different forages.
Ligation of left pulmonary artery instead of patent ductus arteriosus
Authors: Yucel Semih Murat , Sahin Irfan Oguz
Published: September 2020

Ductus arteriosus is an essential component of fetal circulation. Due to occurring changes in the cardiopulmonary system physiology after birth, ductus arteriosus closes. Patent ductus arteriosus can be closed by medical or invasive (percutaneous or surgical) treatment methods. Percutaneous or surgical closure of patent ductus arteriosus can be performed for the cases that medical closure failed. Surgical treatment is often preferred method for closure of patent ductus arteriosus in the neonatal period. The most common surgical complications are pneumothorax, recurrent laryngeal nerve injury, bleeding, and recanalisation. A very rare surgical complication is left pulmonary artery ligation that has been presented in a few cases in the literature. Echocardiography control should be performed in the early post-operative period, especially in patients with clinical suspicion. If reoperation is required, it should never be delayed. We report a newborn patient whose left pulmonary artery ligated accidentally during patent ductus arteriosus closure surgery and surgical correction of this complication at the early post-operative period.
Market dominance and endogenous decline: the contribution of historical analysis
Authors: van Bavel Bas
Published: September 2020

The advances in economic and social history over the past years enabled me to empirically test assumptions about the long-run development of markets. The review by Geoff Hodgson of the resulting book, The Invisible Hand?, is lucid but incomplete. I argue that the rise to dominance of factor markets, followed by that of financial markets, took place already in several early cases, and that all market economies, through an endogenous process, saw the accumulation of wealth and, next, the translation of this wealth into political leverage, creating a feedback loop with negative outcomes which is very hard to break.
Compact dual-/tri-/quad-band bandpass filters with independently frequency-tunable and switchable passbands
Authors: Li Zhao , Wang Litian , He Ming , Li Xiaqing , Liang Zhelong , Wang Zhipeng
Published: September 2020

This paper presents the design of frequency-tunable dual-band, tri-band and quad-band bandpass filters (BPFs). The proposed three BPFs can be independently tuned and individually switched by varying the capacitances of the varactors. In the designed tunable dual-band BPF (TD-BPF), common input/output feed lines are utilized for two tunable dual-mode resonators (TDRs). Further, three TDRs and four TDRs are employed to achieve tunable tri-band BPF (TT-BPF) and tunable quad-band BPF (TQ-BPF), respectively. Then, the TD-BPF and the TT-BPF are fabricated and measured to verify individual tunability and independent switchability. For the TD-BPF, the measurement results show that the center frequency (CF) of the first passband varies from 1.37 to 1.62 GHz, and the CF of the second passband varies from 2.3 to 2.64 GHz. In the measured TT-BPF, the tuning ranges of CFs of three passbands are 1.3–1.5 GHz, 2.36–2.6 GHz, and 3–3.54 GHz, respectively.
A millimeter-wave fundamental and subharmonic hybrid CMOS mixer for dual-band applications
Authors: Zhu Fang , Luo Guo Qing
Published: September 2020

This paper proposes and presents a millimeter-wave (MMW) fundamental and subharmonic hybrid mixer in a 65-nm CMOS technology. Based on a hybrid structure with two switching quads and a quasi-diplexer, the proposed circuit can function either as a fundamental mixer (FM) or a subharmonic mixer (SHM) for dual-band applications. An application of the MMW hybrid mixer in a concurrent dual-band receiver is also discussed, which indicates that the proposed mixer can operate at two different MMW frequency bands concurrently as long as the frequency conversion schemes are carefully designed. Measured results show that the 3-dB RF bandwidth of the MMW hybrid mixer ranges from 16 to 35 GHz for the FM mode and 30 to 53 GHz for the SHM mode, respectively.
An Asian-centric human movement database capturing activities of daily living
Authors: Liang Phyllis , Kwong Wai Hang , Sidarta Ananda , Yap Choon Kong , Tan Wee Kiat , Lim Lek Syn , Chan Pui Yee , Kuah Christopher Wee Keong , Wee Seng Kwee , Chua Karen , Quek Colin , Ang Wei Tech
Published: September 2020

Assessment of human movement performance in activities of daily living (ADL) is a key component in clinical and rehabilitation settings. Motion capture technology is an effective method for objective assessment of human movement. Existing databases capture human movement and ADL performance primarily in the Western population, and there are no Asian databases to date. This is despite the fact that Asian anthropometrics influence movement kinematics and kinetics. This paper details the protocol in the first phase of the largest Asian normative human movement database. Data collection has commenced, and this paper reports 10 healthy participants. Twelve tasks were performed and data was collected using Qualisys motion capture system, force plates and instrumented table and chair. In phase two, human movement of individuals with stroke and knee osteoarthritis will be captured. This can have great potential for benchmarking with the normative human movement captured in phase one and predicting recovery and progression of movement for patients. With individualised progression, it will offer the development of personalised therapy protocols in rehabilitation.
Nrf2 contributes to the weight gain of mice during space travel
Authors: Suzuki Takafumi , Uruno Akira , Yumoto Akane , Taguchi Keiko , Suzuki Mikiko , Harada Nobuhiko , Ryoke Rie , Naganuma Eriko , Osanai Nanae , Goto Aya , Suda Hiromi , Browne Ryan , Otsuki Akihito , Katsuoka Fumiki , Zorzi Michael , Yamazaki Takahiro , Saigusa Daisuke , Koshiba Seizo , Nakamura Takashi , Fukumoto Satoshi , Ikehata Hironobu , Nishikawa Keizo , Suzuki Norio , Hirano Ikuo , Shimizu Ritsuko , Oishi Tetsuya , Motohashi Hozumi , Tsubouchi Hirona , Okada Risa , Kudo Takashi , Shimomura Michihiko , Kensler Thomas W. , Mizuno Hiroyasu , Shirakawa Masaki , Takahashi Satoru , Shiba Dai , Yamamoto Masayuki
Published: September 2020

Space flight produces an extreme environment with unique stressors, but little is known about how our body responds to these stresses. While there are many intractable limitations for in-flight space research, some can be overcome by utilizing gene knockout-disease model mice. Here, we report how deletion of Nrf2, a master regulator of stress defense pathways, affects the health of mice transported for a stay in the International Space Station (ISS). After 31 days in the ISS, all flight mice returned safely to Earth. Transcriptome and metabolome analyses revealed that the stresses of space travel evoked ageing-like changes of plasma metabolites and activated the Nrf2 signaling pathway. Especially, Nrf2 was found to be important for maintaining homeostasis of white adipose tissues. This study opens approaches for future space research utilizing murine gene knockout-disease models, and provides insights into mitigating space-induced stresses that limit the further exploration of space by humans.
Nanomaterial-enhanced chemiluminescence reactions and their applications
Authors: Wang Ruyuan , Yue Ningning , Fan Aiping
Published: September 2020

This review summarizes nanomaterial-enhanced CL reactions and CL detection strategies.
A peptide–drug hydrogel to enhance the anti-cancer activity of chlorambucil
Authors: Guo Qingxiang , Liu Yifan , Mu Ganen , Yang Lijun , Wang Wei , Liu Jinjian , Liu Jianfeng
Published: September 2020

The CRB–FFF–cyclen could transform into a hydrogel via a heating–cooling process. The resulting hydrogel could be protonated in a tumor environment, which is beneficial for cellular uptake and anti-tumor activity.
The in situ redispersion of a PdCu/AC alloy catalyst under a CFCl2CF2Cl/H2 atmosphere: a combination of experimental and DFT study
Authors: Tang Haodong , Dang MingMing , Zhang Feiran , Xu Bin , Zhang Qing , Li Lichun , Song Weiyu , Han Wenfeng , Li Ying , Liu Zongjian
Published: September 2020

A novel CFCl2CF2Cl(R113)/H2 gas treatment process was proposed and successfully applied for the redispersion of a sintered alloy PdCu/AC catalyst.
K4Cu3(C3N3O3)2X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p–p and d–p conjugated π-bonds
Authors: Kang Kaijin , Liang Fei , Meng Xianghe , Tang Jian , Zeng Tixian , Xia Mingjun , Lin Zheshuai , Yin Wenlong , Bin Kang
Published: September 2020

Metal cyanurates K4Cu3(C3N3O3)2X (X = Cl, Br) containing π-conjugated anions are synthesized in flame-sealed silica tubes and they exhibit 2D graphene-like layered structures and intriguing semiconductor behaviors.
The influence of structure on the methyl group dynamics of polymorphic complexes: 6,6′-dimethyl-2,2′-dipyridyl with halo derivatives of benzoquinone acids
Authors: Rok Magdalena , Moskwa Marcin , Dopieralski Przemysław , Medycki Wojciech , Zamponi Michaela , Bator Grażyna
Published: September 2020

The structural analysis, neutron scattering, 1H NMR and computational methods combined to investigate new molecular complexes.
Tunable photoluminescence in flexible carboxylate ligand-based coordination polymers with interesting topologies and Fe3+ sensitivity
Authors: Chen Man-Ting , Xie Xiao-Dan , Meng Jin-Xiu , Ou Yong-Cong , Wu Jian-Zhong , Tong Ming-Liang
Published: September 2020

Complexes 1–5, showing different interesting topological networks from 1D ladder to 3D frameworks, exhibit selective and sensitive fluorescence quenching of Fe3+ ion.
Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field
Authors: Pino-Rios Ricardo , Cárdenas-Jirón Gloria , Tiznado William
Published: September 2020

An analysis of the Bindz bifurcation values has been applied to different porphyrinoids allowing the identification of local and macrocyclic aromaticity.
The unfolding transition state of ubiquitin with charged residues has higher energy than that with hydrophobic residues
Authors: Nandi Tathagata , Desai Amogh , Ainavarapu Sri Rama Koti
Published: September 2020

The native-state structure and folding pathways of a protein are encoded in its amino acid sequence.
Effects of molecular adsorption on the spin-wave spectrum and magnon relaxation in two-dimensional Cr2Ge2Te6
Authors: Wang Ke , Ren Kai , Cheng Yuan , Zhang Min , Wang Hai , Zhang Gang
Published: September 2020

Molecular adsorption has remarkable impacts on the exchange constant and magnon–phonon scattering of magnetic materials.
The development of a full range analytical interatomic potential
Authors: Sheng X. W. , Tang K. T.
Published: September 2020

A chronological account is given to the development of a full range interatomic potential.
Capturing the active sites of multimetallic (oxy)hydroxides for the oxygen evolution reaction
Authors: Bo Xin , Hocking Rosalie K , Zhou Si , Li Yibing , Chen Xianjue , Zhuang Jincheng , Du Yi , Zhao Chuan
Published: September 2020

The catalytic active sites of NiFe and NiFeCr (oxy)hydroxides are revealed byoperandospectroscopic techonologies for alkaline water oxidation.
Ultralow thermal conductivity in diamondoid lattices: high thermoelectric performance in chalcopyrite Cu0.8+yAg0.2In1−yTe2
Authors: Xie Hongyao , Hao Shiqiang , Cai Songting , Bailey Trevor P. , Uher Ctirad , Wolverton Christopher , Dravid Vinayak P. , Kanatzidis Mercouri G.
Published: September 2020

Ag induced phonon–phonon coupling effect leads to ultralow thermal conductivity and high thermoelectric performance of diamond-like material Cu1−xAgxInTe2.
ElectrochemicalN-demethylation of tropane alkaloids
Authors: Alipour Najmi Ali , Xiao Zhangping , Bischoff Rainer , Dekker Frank J. , Permentier Hjalmar P.
Published: September 2020

A practical, efficient, and selective electrochemicalN-demethylation method of tropane alkaloids to their nortropane derivatives is described.
Base-promoted aerobic oxidative synthesis of fused 1,3,5-triazines under metal-free conditions
Authors: Chen Jinjin , Sun Zhaozhao , Xiao Fuhong , Deng Guo-Jun
Published: September 2020

An efficient base-promoted aerobic oxidation procedure for the synthesis of fused 1,3,5-triazines from 2-aminobenzimidazoles, aromatic aldehydes, and ammonium iodide under metal-free conditions has been developed.
Absolute isotope ratios of carbon dioxide – a feasibility study
Authors: Flierl Lukas , Rienitz Olaf , Brewer Paul J. , Meijer Harro A. J. , Steur Farilde M.
Published: September 2020

First attempts of adapting the gravimetric mixture method for absolute isotope ratios of CO2.
Diffusion doping of cobalt in rod-shape anatase TiO2 nanocrystals leads to antiferromagnetism
Authors: Mia Shahzahan , Varapragasam Shelton J. P. , Baride Aravind , Balasanthiran Choumini , Balasubramanian Balamurugan , Rioux Robert M. , Hoefelmeyer James D.
Published: September 2020

Cobalt(ii) ions were adsorbed to the surface of rod-shape anatase TiO2 nanocrystals and subsequently heated to promote ion diffusion into the nanocrystal.
Effect of surface acidity on the catalytic activity and deactivation of supported sulfonic acids during dehydration of methanol to DME
Authors: Viscardi Rosanna , Barbarossa Vincenzo , Gattia Daniele Mirabile , Maggi Raimondo , Maestri Giovanni , Pancrazzi Francesco
Published: September 2020

Superiorty of the supported sulfonic acid catalyst in terms of the water resistance and efficiency of the acid sites compared to the commercial reference.
Synthesis and characterization of donor–acceptor semiconducting polymers containing 4-(4-((2-ethylhexyl)oxy)phenyl)-4H-dithieno[3,2-b:2′,3′-d]pyrrole for organic solar cells
Authors: Mai Huyen Le Thi , Truong Nhung Thanh Thi , Nguyen Thiet Quoc , Doan Bao Kim , Tran Dat Hung , Nguyen Le-Thu T. , Lee Woosung , Jung Jae Woong , Hoang Mai Ha , Huynh Ha Phuong Ky , Tran Chau Duc , Nguyen Ha Tran
Published: September 2020

D–A polymers containing 4-(4-((2-ethylhexyl)oxy)phenyl)-4H-dithieno[3,2-b:2′,3′-d]pyrrole and 2,5-bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione were successfully synthesized and applied for organic solar cells.
Fabrication of chromium-imprinted polymer: a real magneto-selective sorbent for the removal of Cr(vi) ions in real water samples
Authors: Kumar Sagar , Alveroğlu Esra , Balouch Aamna , Talpur Farah Naz , Jagirani Muhammad Saqaf , Abdullah  , Mahar Ali Muhammad , Pato Abdul Hameed , Mal Dadu , Lal Shanker
Published: September 2020

Graphical representation (a and b) show the procedure for the synthesis of Cr(vi) ion-imprinted magnetic polymer.
Proposition of deposition and bias conditions for optimal signal-to-noise-ratio in resistor- and FET-type gas sensors
Authors: Shin Wonjun , Jung Gyuweon , Hong Seongbin , Jeong Yujeong , Park Jinwoo , Kim Donghee , Jang Dongkyu , Kwon Dongseok , Bae Jong-Ho , Park Byung-Gook , Lee Jong-Ho
Published: September 2020

Response alone cannot fully evaluate the performance of sensors, and the signal-to-noise-ratio should additionally be considered to design gas sensors with optimal performance.
Tunable bandgap and isotropic light absorption from bismuth-containing GaAs core–shell and multi-shell nanowires
Authors: Usman Muhammad
Published: September 2020

Addition of bismuth in GaAs core-shell nanowires allows an exquisite control over their band-gap energies and light polarisation properties, paving the way for new possibilities for future technologies in the areas of photonics, quantum electronics, and solar energy harvesting.
Insights into the interparticle mixing of CsPbBr3 and CsPbI3 nanocubes: halide ion migration and kinetics
Authors: Haque Anamul , Chonamada Trupthi Devaiah , Dey Arka Bikash , Santra Pralay K.
Published: September 2020

Interparticle mixing of CsPbBr3 and CsPbI3 nanocrystals proceeds via the free oleylammonium halides, having an activation energy of 0.75 ± 0.05 eV.
How inverting β-1,4-galactosyltransferase-1 can quench a high charge of the by-product UDP3−in catalysis: a QM/MM study of enzymatic reaction with native and UDP-5′ thio galactose substrates
Authors: Kóňa J.
Published: September 2020

The function of Asp252 in the catalysis of β-1,4-galactosyltransferase-1 may be the stabilization of a high charge of the by-product UDP3−by a substrate-assisted proton transfer reaction.
A simpler method affords evaluation of π stabilization by phenylalanine of several biochemical carbocations
Authors: Spencer Thomas A. , Ditchfield Robert
Published: September 2020

Simple models based on measurements taken from X-ray structures of relevant active sites are used to evaluate π stabilization by phenylalanine of several biochemical carbocations.
Substituent effects in iniferter photopolymerization: can bond homolysis be enhanced by electronics?
Authors: Allegrezza Michael L. , De Alwis Watuthanthrige Nethmi , Wang Yufei , Garcia Gabriel A. , Ren Hang , Konkolewicz Dominik
Published: September 2020

Substituent effects on the dithiobenzoate moiety of RAFT iniferters are investigated. Donating groups accelerate the iniferter process, while withdrawing groups slow it. The unique efficiency of the methoxydithiobenzoate iniferter was uncovered.
Controllable synthesis of hierarchical Au/PdAg heterostructures consisting of nanosheets on nanorods with plasmon-enhanced electrocatalytic properties
Authors: Ge Zhiqiang , Wang Cheng , Qi Limin
Published: September 2020

Hierarchical Au/PdAg heterostructures consisting of PdAg nanosheets epitaxially grown on Au nanorods are synthesized in the presence of mixed surfactants and exhibit remarkable plasmon-enhanced electrocatalytic activity toward hydrogen evolution.
Supramolecular gels in cyanide sensing: a review
Authors: Panja Santanu , Panja Atanu , Ghosh Kumaresh
Published: September 2020

In this review, an up-to-date summary of various reports on cyanide-responsive gels emphasizing the approaches, design principles, and reaction mechanisms has been discussed eloquently.
Integrated multi-step continuous flow synthesis of daclatasvir without intermediate purification and solvent exchange
Authors: Rana Abhilash , Mahajan Bhushan , Ghosh Subhash , Srihari Pabbaraja , Singh Ajay K.
Published: September 2020

The rapid transmission of viral diseases can cause massive economic damage and loss of life.
Base-catalyzed aryl halide isomerization enables the 4-selective substitution of 3-bromopyridines
Authors: Puleo Thomas R. , Bandar Jeffrey S.
Published: September 2020

The base-catalyzed isomerization of aryl halides is described and applied to the tandem isomerization/4-substitution of 3-bromopyridines as a strategy for achieving unconventional selectivity in nucleophilic aromatic substitution reactions.
Enhancing the photodynamic therapy efficacy of black phosphorus nanosheets by covalently grafting fullerene C60
Authors: Liu Yajuan , Zhu Daoming , Zhu Xianjun , Cai Gaoke , Wu Jianhua , Chen Muqing , Du Pingwu , Chen Yongshun , Liu Wei , Yang Shangfeng
Published: September 2020

Covalently grafting C60 molecules onto black phosphorus (BP) nanosheets improves their tumor inhibition rate from 36.6% to 88.2%.
Iron-catalyzed remote functionalization of inert C(sp3)–H bonds of alkenes via 1,n-hydrogen-atom-transfer by C-centered radical relay
Authors: Bian Kang-Jie , Li Yan , Zhang Kai-Fan , He Yan , Wu Tian-Rui , Wang Cheng-Yu , Wang Xi-Sheng
Published: September 2020

Remote functionalization of inert C(sp3)–H bonds is described via iron-catalyzed sp3 C-centered radical relay.
Bioinspired roll-to-roll solar-thermal energy harvesting within form-stable flexible composite phase change materials
Authors: Chang Chao , Nie Xiao , Li Xiaoxiang , Tao Peng , Fu Benwei , Wang Zhongyong , Xu Jiale , Ye Qinxian , Zhang Jingyi , Song Chengyi , Shang Wen , Deng Tao
Published: September 2020

Roll-to-roll charging of flexible composite phase change materials enables fast solar-thermal energy harvesting within bulk storage media.
Carbon nanodot decorated acellular dermal matrix hydrogel augments chronic wound closure
Authors: Bankoti Kamakshi , Rameshbabu Arun Prabhu , Datta Sayanti , Roy Madhurima , Goswami Piyali , Roy Sabyasachi , Das Amit Kumar , Ghosh Sudip Kumar , Dhara Santanu
Published: September 2020

Impaired skin regeneration in chronic wounds like in diabetes corresponds to high oxidative stress, poor angiogenesis and insufficient collagen hyperplasia.
One-step synthesis of an acceptor–donor–acceptor small molecule based on indacenodithieno[3,2-b]thiophene and benzothiadiazole units for high-performance solution-processed organic field-effect transistors
Authors: Zhang Guobing , Chen Ruikun , Sun Mingxiang , Kim Minkyu , Wang Weiwei , Qiu Longzhen , Cho Kilwon , Ding Yunsheng
Published: September 2020

We reported a one-step synthesis of a high-performance acceptor–donor–acceptor small molecule based on indacenodithieno[3,2-b]thiophene (IDTT) as the donor unit and benzothiadiazole (BT) as the acceptor unit.
Dopamine is an aryl hydrocarbon receptor agonist
Authors: Park Hyejin , Jin Un-ho , Karki Keshav , Jayaraman Arul , Allred Clint , Michelhaugh Sharon K. , Mittal Sandeep , Chapkin Robert S. , Safe Stephen
Published: September 2020

Tryptophan metabolites exhibit aryl hydrocarbon receptor (AhR) agonist activity and recent studies show that the phenylalanine metabolites serotonin and carbidopa, a drug used in treating Parkinson's disease, activated the AhR. In this study, we identified the neuroactive hormone dopamine as an inducer of drug-metabolizing enzymes CYP1A1, CYP1B1, and UGT1A1 in colon and glioblastoma cells and similar results were observed for carbidopa. In contrast, carbidopa but not dopamine exhibited AhR activity in BxPC3 pancreatic cancer cells whereas minimal activity was observed for both compounds in Panc1 pancreatic cancer cells. In contrast with a previous report, the induction responses and cytotoxicity of carbidopa was observed only at high concentrations (100 µM) in BxPC3 cells. Our results show that similar to serotonin and several tryptophan metabolites, dopamine is also an AhR-active compound.
A beginner’s guide to mass spectrometry–based proteomics
Authors: Sinha Ankit , Mann Matthias
Published: September 2020

Mass spectrometry (MS)-based proteomics is the most comprehensive approach for the quantitative profiling of proteins, their interactions and modifications. It is a challenging topic as a firm grasp requires expertise in biochemistry for sample preparation, analytical chemistry for instrumentation and computational biology for data analysis. In this short guide, we highlight the various components of a mass spectrometer, the sample preparation process for conversion of proteins into peptides, and quantification and analysis strategies. The advancing technology of MS-based proteomics now opens up opportunities in clinical applications and single-cell analysis.
Protomagnetar research through an analysis of the X-ray plateau in the multi-messengar era
Authors: Ren Xiaoxiao , Wei Daming , Zhu Zhenyu , Yan Yan , Li Chengming
Published: September 2020

The joint detection of the gravitational wave signal and the electromagnetic emission from a binary neutron star merger can place unprecedented constraint on the equation of state of supranuclear matter. Although a variety of electromagnetic counterparts have been observed for GW170817, including a short gamma-ray burst, kilonova, and the afterglow emission, the nature of the merger remnant is still unclear, however. The X-ray plateau is another important characteristics of short gamma-ray bursts. This plateau is probably due to the energy injection from a rapidly rotating magnetar. We investigate what we can learn from the detection of a gravitational wave along with the X-ray plateau. In principle, we can estimate the mass of the merger remnant if the X-ray plateau is caused by the central magnetar. We selected eight equations of state that all satisfy the constraint given by the gravitational wave observation, and then calculated the mass of the merger remnants of four short gamma-ray bursts with a well-measured X-ray plateau. If, on the other hand, the mass of the merger remnant can be obtained by gravitational wave information, then by comparing the masses derived by these two different methods can further constrain the equation of state. We discuss the possibility that the merger product is a quark star. In addition, we estimate the possible mass range for the recently discovered X-ray transient CDF-S XT2 that probably originated from a binary neutron star merger. Finally, under the assumption that the post-merger remnant of GW170817 was a supramassive neutron star, we estimated the allowed parameter space of the supramassive neutron star and find that in this case, the magnetic dipole radiation energy is so high that it may have some effects on the short gamma-ray burst and kilonova emission. The lack of detection of these effects suggests that the merger product of GW170817 may not be a supermassive neutron star.
Three-dimensional modeling from the onset of the SN to the full-fledged SNR
Authors: Tutone A. , Orlando S. , Miceli M. , Ustamujic S. , Ono M. , Nagataki S. , Ferrand G. , Greco E. , Peres G. , Warren D. C. , Bocchino F.
Published: September 2020

Context. The manifold phases in the evolution of a core-collapse (CC) supernova (SN) play an important role in determining the physical properties and morphology of the resulting supernova remnant (SNR). Thus, the complex morphology of SNRs is expected to reflect possible asymmetries and structures developed during and soon after the SN explosion.

Aims. The aim of this work is to bridge the gap between CC SNe and their remnants by investigating how post-explosion anisotropies in the ejecta influence the structure and chemical properties of the remnant at later times.

Methods. We performed three-dimensional magneto-hydrodynamical simulations starting soon after the SN event and following the evolution of the system in the circumstellar medium, which includes the wind of the stellar progenitor, for 5000 yr, obtaining the physical scenario of a SNR. Here we focused the analysis on the case of a progenitor red supergiant of 19.8 M⊙. We also investigated how a post-explosion large-scale anisotropy in the SN affects the ejecta distribution and the matter mixing of heavy elements in the remnant during the first 5000 yr of evolution.

Results. In the case of a spherically symmetric SN explosion without large-scale anisotropies, the remnant roughly keeps memory of the original onion-like layering of ejecta soon after the SN event. Nevertheless, as the reverse shock hits the ejecta, the element distribution departs from a homologous expansion because of the slowing down of the outermost ejecta layers due to interaction with the reverse shock. In the case of a large-scale anisotropy developed after the SN, we found that the chemical stratification in the ejecta can be strongly modified and the original onion-like layering is not preserved. The anisotropy may cause spatial inversion of ejecta layers, for instance leading to Fe/Si-rich ejecta outside the O shell, and may determine the formation of Fe/Si-rich jet-like features that may protrude the remnant outline. The level of matter mixing and the properties of the jet-like feature are sensitive to the initial physical (density and velocity) and geometrical (size and position) initial characteristics of the anisotropy.