bluuebunny/crossref_metadata_2025_split huggingface dataset:
Marker residue types at the structural regions of transmembrane alpha‐helical and beta‐barrel interfaces
Authors: Beytur Sercan 
Published: April 2021

AbstractMembrane proteins play a variety of biological functions to the survival of organisms and functionalities of these proteins are often due to their homo‐ or hetero‐complexation. Encoded by ~30% of the genome in most organisms, they represent the target of over half of nowadays drugs. Spanning the entirety of the cell membrane, transmembrane proteins are the most common type of membrane proteins and can be classified by secondary structures: alpha‐helical and beta‐barrel structures. Protein‐protein interaction (PPI) have been widely studied for globular proteins and many computational tools are available for predicting PPI sites and construct models of complexes. Here, the structural regions of a non‐redundant set of 232 alpha‐helical and 37 beta‐barrel transmembrane complexes and their interfaces are analyzed. Using the residue composition, frequency and propensity, this study brings the light on the marker residue types located at the structural regions of alpha‐helical and beta‐barrel transmembrane homomeric protein complexes and of their interfaces. This study also shows the necessity to relate the frequency to the composition into a ratio for immediately figuring out residue types presenting high frequencies at the interface and/or at one of its structural regions despite being a minor contributor compared to other residue types to that location's residue composition.
A General Polymer‐Oriented Acid‐Mediated Self‐Assembly Approach toward Crystalline Mesoporous Metal Sulfides
Authors: Zhou Hongru , Xiong Hailong , Zhang Rui , Zhang Liangliang , Zhang Ling , Li Lin , Zhang Wei , Zhu Zhu , Qiao Zhen‐An 
Published: April 2021

AbstractMesoporous metal sulfides (MMSs) with high surface areas and large pore volumes show great potential in many applications such as gas sensing, photodetection, and catalysis. However, the synthesis of MMSs is still challenging due to the uncontrollable fast precipitation between metal ions and S2− ions and the large volume contraction during the conversion of metal precursors to sulfides. Here, a general polymer‐oriented acid‐mediated self‐assembly method to synthesize highly crystalline MMSs (e.g., ZnS, CdS, Ni3S4, CuS, and ZnxCd1−xS) by using polyethylenimine (PEI) as pore‐forming agent is reported. In this method, acetic acid is designed as pH regulator and coordination agent to control the interactions between inorganic precursors and PEI, and adjust the reaction kinetics of metal ions and thioacetamide. This method endows a high degree of control over crystal structure and porous structure of MMSs. The surface areas and pore volumes of obtained MMSs are as high as 157 m2 g−1 and 1.149 cm3 g−1, respectively. Benefiting from the abundant mesopores and homojunctions, mesoporous Zn0.56Cd0.44S shows a superior photocatalytic H2 generation rate of 14.3 mmol h−1 g−1.
Pitavastatin and metformin synergistically activate apoptosis and autophagy in pancreatic cancer cells
Authors: Chen Ya‐Hui , Huang Ying‐Chih , Yang Shun‐Fa , Yen Hsu‐Heng , Tsai Horng‐Der , Hsieh Ming‐Chia , Hsiao Yi‐Hsuan 
Published: April 2021

AbstractPancreatic cancer is the seventh leading cause of cancer‐related deaths globally. Metformin is the standard first‐line of treatment for hyperglycemia in Type 2 diabetes, whereas pitavastatin is a cholesterol‐lowering drug used to prevent cardiovascular diseases. Both these agents evidently exert anticancer effects on pancreatic cancer; however, it remains unclear whether cotreatment using them has additive or synergistic anticancer effects on pancreatic cancer. Thus, we herein used the ASPC‐1 and PANC‐1 cells and treated them with metformin and/or pitavastatin. We performed the cell viability assay, transwell migration assay, and cell cycle analysis using flow cytometry. Western blotting was used to determine protein levels. We found that cotreatment with metformin (30 mM) and pitavastatin (10 μM) significantly reduced cell viability; caused G0/G1 cell cycle arrest; upregulated the expression levels of Bax, PCNA, cleaved PARP‐1, cleaved caspase‐3, LC3 II, and p27 Kip1/p21Cip1; and inhibited cell migration. The combination index value for cell viability indicated a synergistic interaction between metformin and pitavastatin. Moreover, cotreating the cells with metformin (30 mM) and pitavastatin (10 μM) could preserve mitochondrial function, activate AMPK, and inhibit PI3K/mTOR than treatment with metformin or pitavastatin alone. These findings clearly indicated that metformin plus pitavastatin had a synergistic anticancer effect on pancreatic cancer cells, potentially caused due to the activation of AMPK and inhibition of PI3K/mTOR signaling. Altogether, our results provide that use of metformin plus pitavastatin maybe serve as a chemotherapeutic agent for human pancreatic cancer in future.
[Ti(fpin)3]2−: a structurally characterized transition metal tris(perfluoropinacolato) complex
Authors: Heinemann Jan , Klüfers Peter 
Published: April 2021

AbstractThe reaction of TiCl3 ⋅ 3THF with perfluoropinacol (H2fpin), triethylamine and silver nitrite in acetonitrile yielded in the formation of the first tris(perfluoropinacolato) complex with a transition metal, (HNEt3)3[TiIV(fpin)3]NO2 (1). The compound was fully characterized with IR and UV‐vis spectroscopy as well as elemental analysis and single crystal X‐ray diffraction. The structure of 1 is compared with that of known homoleptic titanium(IV) compounds and the only other structurally resolved tris(perfluoropinacolato)metallate, the stannate(IV) (HNEt3)2[Sn(fpin)3] ⋅ 2acetone.
Argyres-Douglas theories, S-duality and AGT correspondence
Authors: Kimura Takuya , Nishinaka Takahiro , Sugawara Yuji , Uetoko Takahiro 
Published: April 2021

Abstract
We propose a Nekrasov-type formula for the instanton partition functions of four-dimensional $$ \mathcal{N} $$
N
= 2 U(2) gauge theories coupled to (A1, D2n) Argyres-Douglas theories. This is carried out by extending the generalized AGT correspondence to the case of U(2) gauge group, which requires us to define irregular states of the direct sum of Virasoro and Heisenberg algebras. Using our formula, one can evaluate the contribution of the (A1, D2n) theory at each fixed point on the U(2) instanton moduli space. As an application, we evaluate the instanton partition function of the (A3, A3) theory to find it in a peculiar relation to that of SU(2) gauge theory with four fundamental flavors. From this relation, we read off how the S-duality group acts on the UV gauge coupling of the (A3, A3) theory.
Should We Strive to Make Science Bias-Free? A Philosophical Assessment of the Reproducibility Crisis
Authors: Hudson Robert 
Published: April 2021

AbstractRecently, many scientists have become concerned about an excessive number of failures to reproduce statistically significant effects. The situation has become dire enough that the situation has been named the ‘reproducibility crisis’. After reviewing the relevant literature to confirm the observation that scientists do indeed view replication as currently problematic, I explain in philosophical terms why the replication of empirical phenomena, such as statistically significant effects, is important for scientific progress. Following that explanation, I examine various diagnoses of the reproducibility crisis, and argue that for the majority of scientists the crisis is due, at least in part, to a form of publication bias. This conclusion sets the stage for an assessment of the view that evidential relations in science are inherently value-laden, a view championed by Heather Douglas and Kevin Elliott. I argue, in response to Douglas and Elliott, and as motivated by the meta-scientific resistance scientists harbour to a publication bias, that if we advocate the value-ladenness of science the result would be a deepening of the reproducibility crisis.
Nonlinear model standardization for the analysis and design of nonlinear systems with multiple equilibria
Authors: Zhu Yun-Peng , Lang Z. Q. , Guo Yu-Zhu 
Published: April 2021

AbstractIn engineering practice, a nonlinear system stable about several equilibria is often studied by linearizing the system over a small range of operation around each of these equilibria, and allowing the study of the system using linear system methods. Theoretically, for operations beyond a small range but still within the stable regime of an equilibrium, the system behaves nonlinearly, and can be described and investigated using the Volterra series approach. However, there is still no available approach that can systematically transform the model of a nonlinear system into a form that can be studied over the whole stable regime about an equilibrium so as to facilitate the system study using the Volterra series approach. This transformation is, in the present study, referred to as nonlinear model standardization, which is the extension of the well-known concept of linearization to the nonlinear case. In this paper, a novel approach to nonlinear model standardization is proposed for nonlinear systems that can be described by a Nonlinear AutoRegressive model with eXogeneous input (NARX) or a nonlinear differential equation (NDE) model. The proposed approach is then used in three case studies covering the applications in nonlinear system analysis, nonlinear system design, and nonlinearity compensation, respectively, demonstrating the significance of the proposed nonlinear model standardization in a wide range of engineering practices.
Human Values and Retirement Experiences: a Longitudinal Analysis of Norwegian Data
Authors: Blekesaune Morten , Hansen Thomas 
Published: April 2021

AbstractMotivational factors, such as one’s value system, may affect how people cope with the opportunities and challenges of retirement. This article explores the moderating roles of Schwartz’s four basic values (self-enhancement, self-transcendence, openness to change, and conservation) on the magnitude and duration of retirement effects on life satisfaction between two waves (2007 and 2017) of the Norwegian Life course, Ageing and Generation (NorLAG) study. Fixed-effect regression analyses are run separately for men and women to account for gender differences in the attachments and identities tied to work and non-work domains. Retirement is not a uniform experience, and findings show that retirement experiences are structured by gender and personal values. Holding values with a personal focus (self-enhancement and openness to change) is associated withlessbeneficial effects of retirement among men but not among women. Men holding these values may struggle to find new and stimulating avenues for experiencing personal success and variety after retirement. Holding values with a social focus (self-transcendence and conservation) is unrelated to retirement effects.
Periodontal health related–inflammatory and metabolic profiles of patients with end-stage renal disease: potential strategy for predictive, preventive, and personalized medicine
Authors: Ma Xiaoxin , Wang Yongli , Wu Hongyu , Li Fei , Feng Xiping , Xie Yingxin , Xie Danshu , Wang Wenji , Lo Edward Chin Man , Lu Haixia 
Published: April 2021

Abstract
Objectives
To compare the periodontal health related–inflammatory and metabolic differences between patients with end-stage renal disease (ESRD) and healthy controls (HC), and to identify potential biomarkers in gingival crevicular fluid (GCF) and serum of ESRD patients for predictive, preventive, and personalized medicine (PPPM).

Methods
Patients with ESRD (ESRD group; n = 52) and healthy controls (HC group; n = 44) were recruited. Clinical periodontal parameters were recorded. The differential metabolites in the GCF and serum were identified by liquid chromatography/mass spectrometry (LC/MS). Inflammatory markers including interleukin-1β (IL-1β), interleukin-6 (IL-6), interleukin-8 (IL-8), and C-reactive protein (CRP) were also assessed.

Results
In the ESRD group, IL-8 and CRP were significantly higher in GCF, whereas IL-6 and CRP were significantly higher in serum, compared with HC group (all P < 0.05). In the case of GCF, taurine levels were positively correlated with IL-8 levels in both groups (all P < 0.05). In the case of serum, l-phenylalanine and p-hydroxyphenylacetic acid levels were positively correlated with CRP levels in both groups (all P < 0.05). Significant positive correlations were observed between metabolites (including pseudouridine, l-phenylalanine, and p-hydroxyphenylacetic acid) and IL-6 levels only in ESRD group.

Conclusions
IL-8 and CRP are potential inflammatory makers that reflect the periodontal health of ESRD individual, which may be considered the valuable predictive diagnostics in the agreement with PPPM philosophy. Besides, metabolites of taurine in GCF as well as l-phenylalanine and p-hydroxyphenylacetic acid in serum are possible biomarkers correlated with inflammatory markers. All these biomarkers may also be highly recommended as a novel predictive/diagnostic tool for the assessment of inflammatory status from the perspectives of PPPM in view of susceptible population and individual screening.
Mini-ICF-APP Inter-Rater Reliability and Development of Capacity Disorders Over the Course of a Vocational Training Program—A Longitudinal Study
Authors: Burri M. , Werk L. P. , Berchtold A. , Pugliese M. , Muschalla B. 
Published: April 2021

AbstractThe Mini-ICF-APP is an established instrument in social medicine, especially in the context of work ability assessment. In this study, the 13 capacity dimensions of Mini-ICF-APP were tested for its inter-rater reliability in the context of a vocational training program for persons with chronic and mental health problems in Switzerland. Also, the development of capacity impairments was investigated over the course of the long-term vocational training programs.61 training reports on chronically ill persons with mental health impairments were collected within a vocational training program in 2018–2019. Capacity impairment of the trainees were assessed at the beginning of the intervention (t0), after three months (t1) and after 6 to 9 months (t2) by a job attendant and a consultant at each of the three time points. Inter-rater reliabilities for each time point have been calculated. Development of capacity impairment over the course of the vocational training were investigated by variance analysis with repeated measurements.The inter-rater reliability increased in all 13 Mini-ICF-APP capacity dimensions over the course from t0 to t2. Spearman correlation in each capacity dimension reached sufficient values (r = 0.55*–0.97**). There was no statistically significant change of capacity impairment over the course of the vocational training. Ten capacity dimensions showed a decreasing tendency, three showed a tendency to improve capacity levels.Through repeated application and training programs the capacity raters seem to be able to improve reliability of their assessments. The phenomenon of slight increase of capacity impairments over the time may be due to the fact that context and rater’s knowledge on participants and context demands changed over the time.
Effect of Self-reported Height on Occupational Rank Among Police Officers: Especially for Women it Pays to be Tall
Authors: Buunk Abraham P. , Stulp Gert , Schaufeli Wilmar B. 
Published: April 2021

AbstractThis study among 725 male and 247 female police officers from The Netherlands examined the association between self-reported height and occupational rank from the perspective of sexual selection. Male and female police officers were taller than the average population. A larger percentage of women than of men was found in the lowest ranks, but in the leadership positions, there was a similar percentage of women as of men. Overall, but especially among women, height was linearly associated with occupational rank: the taller one was, the higher one’s rank. These effects were independent of educational level and age. The implications for evolutionary theorizing from the perspective of sexual selection on the effect of tallness on status and dominance among women are discussed.
Insights into SARS-CoV-2: Medicinal Chemistry Approaches to Combat Its Structural and Functional Biology
Authors: Zhuo Lin-Sheng , Wang Ming-Shu , Yang Jing-Fang , Xu Hong-Chuang , Huang Wei , Shang Lu-Qing , Yang Guang-Fu 
Published: April 2021

AbstractCoronavirus disease 2019, caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is still a pandemic around the world. Currently, specific antiviral drugs to control the epidemic remain deficient. Understanding the details of SARS-CoV-2 structural biology is extremely important for development of antiviral agents that will enable regulation of its life cycle. This review focuses on the structural biology and medicinal chemistry of various key proteins (Spike, ACE2, TMPRSS2, RdRp and Mpro) in the life cycle of SARS-CoV-2, as well as their inhibitors/drug candidates. Representative broad-spectrum antiviral drugs, especially those against the homologous virus SARS-CoV, are summarized with the expectation they will drive the development of effective, broad-spectrum inhibitors against coronaviruses. We are hopeful that this review will be a useful aid for discovery of novel, potent anti-SARS-CoV-2 drugs with excellent therapeutic results in the near future.
Interpretable Faraday complexity classification
Authors: Alger M. J. , Livingston J. D. , McClure-Griffiths N. M. , Nabaglo J. L. , Wong O. I. , Ong C. S. 
Published: April 2021

Abstract
Faraday complexity describes whether a spectropolarimetric observation has simple or complex magnetic structure. Quickly determining the Faraday complexity of a spectropolarimetric observation is important for processing large, polarised radio surveys. Finding simple sources lets us build rotation measure grids, and finding complex sources lets us follow these sources up with slower analysis techniques or further observations. We introduce five features that can be used to train simple, interpretable machine learning classifiers for estimating Faraday complexity. We train logistic regression and extreme gradient boosted tree classifiers on simulated polarised spectra using our features, analyse their behaviour, and demonstrate our features are effective for both simulated and real data. This is the first application of machine learning methods to real spectropolarimetry data. With 95% accuracy on simulated ASKAP data and 90% accuracy on simulated ATCA data, our method performs comparably to state-of-the-art convolutional neural networks while being simpler and easier to interpret. Logistic regression trained with our features behaves sensibly on real data and its outputs are useful for sorting polarised sources by apparent Faraday complexity.
NEW RADIOCARBON EVIDENCE FOR HUMAN OCCUPATION IN CENTRAL ARGENTINA DURING THE MIDDLE AND LATE HOLOCENE: THE ONGAMIRA VALLEY CASE
Authors: Izeta Andrés D , Cattáneo Roxana , Robledo Andrés I , Takigami Mai , Yoneda Minoru , Tokanai Fuyuki , Kato Kazuhiro , Matsuzaki Hiroyuki 
Published: April 2021

ABSTRACTThe Ongamira Valley (Córdoba, Argentina) shows a persistent occupational history of its territory. Even one of the first Argentinian radiocarbon (14C) dates was calculated in this valley; for 70 years, the chronology was based on relative dates (stratigraphy and its cultural content). For this reason, since 2010 a14C dating program has been developed focusing on the chronology of eight of the 60 sites identified so far for the valley. This work reports the outcomes of this program with 27 new dates. These data have been related to characteristics of the material culture, use of space and mobility of hunter-gatherer societies. The results have allowed us to bring new insights into a continuous occupation of the valley since the Middle Holocene according to the human peopling models proposed. It has also been possible to provide greater chronological precision to various activities related to feeding practices, use of space associated with rock-shelters, palaeoenvironmental changes and incorporation of new technologies into daily practices.
REVENIA-KORINOS: ONE OF THE EARLIEST NEOLITHIC SETTLEMENTS IN NORTH GREECE AS EVIDENCED BY RADIOCARBON DATING
Authors: Maniatis Yannis , Adaktylou Fotini 
Published: April 2021

ABSTRACTRadiocarbon (14C) dating was applied to the Neolithic open-air, flat-extended settlement at Revenia-Korinos in Pieria, North Greece. The samples came from the earlier habitation period of the settlement, characterized by more than 100 pits that vary significantly in shape and dimensions, some of them being identified as subterranean or semi-subterranean pit dwellings. It is suggested that the fills of the pits were the result of secondary, structured refuse deposition, except for pits that preserve their habitational use, according to stratigraphic data. The 14C results confirm that Revenia is among the earliest Neolithic settlements in North Greece and the Aegean in general. The initial phase of habitation is dated at around 6600/6550 BC comparable only to two other EN sites in North Greece. Habitation intensified at around 6460/6430 BC, accompanied by a shift in pottery style. This phase lasts until 6200/6100 BC when the pit habitation mode is followed by above-ground, rectangular post-framed structures. The dates of the human burials from Revenia also identify them as among the earliest Neolithic burials in Greece. Finally, the radiocarbon dates proved very useful for sequencing the chronological use of the pits and the excavated area in general.
A volumetric three-dimensional evaluation of invasiveness of an endoscopic and microscopic approach for transmeatal visualisation of the middle ear
Authors: Baazil A H A , Dobbe J G G , van Spronsen E , Ebbens F A , Dikkers F G , Streekstra G J , de Wolf M J F 
Published: April 2021

AbstractObjectiveThis study aimed to compare the necessary scutum defect for transmeatal visualisation of middle-ear landmarks between an endoscopic and microscopic approach.MethodHuman cadaveric heads were used. In group 1, middle-ear landmarks were visualised by endoscope (group 1 endoscopic approach) and subsequently by microscope (group 1 microscopic approach following endoscopy). In group 2, landmarks were visualised solely microscopically (group 2 microscopic approach). The amount of resected bone was evaluated via computed tomography scans.ResultsIn the group 1 endoscopic approach, a median of 6.84 mm3 bone was resected. No statistically significant difference (Mann–Whitney U test, p = 0.163, U = 49.000) was found between the group 1 microscopic approach following endoscopy (median 17.84 mm3) and the group 2 microscopic approach (median 20.08 mm3), so these were combined. The difference between the group 1 endoscopic approach and the group 1 microscopic approach following endoscopy plus group 2 microscopic approach (median 18.16 mm3) was statistically significant (Mann–Whitney U test, p < 0.001, U = 18.000).ConclusionThis study showed that endoscopic transmeatal visualisation of middle-ear landmarks preserves more of the bony scutum than a microscopic transmeatal approach.
An inchworm-inspired motion strategy for robotic swarms
Authors: Eshaghi Kasra , Kashino Zendai , Yoon Hyun Joong , Nejat Goldie , Benhabib Beno 
Published: April 2021

AbstractEffective motion planning and localization are necessary tasks for swarm robotic systems to maintain a desired formation while maneuvering. Herein, we present an inchworm-inspired strategy that addresses both these tasks concurrently using anchor robots. The proposed strategy is novel as, by dynamically and optimally selecting the anchor robots, it allows the swarm to maximize its localization performance while also considering secondary objectives, such as the swarm’s speed. A complementary novel method for swarm localization, that fuses inter-robot proximity measurements and motion commands, is also presented. Numerous simulated and physical experiments are included to illustrate our contributions.