bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and anti‐hepatocellular carcinoma activity in vitro of cyclic peptide GG‐8‐6 analogues
Authors: Hu Xiao‐Zhi , Li Rong‐Sheng , Chen Jie‐Tao , Mu Qing 
Published: November 2021

AbstractOur previous study reported a cyclic peptide, GG‐8‐6, possessing effective activity against hepatocellular carcinoma both in vitro and in vivo. In order to seek out better analogues in synthetic yield or bioactivity, we synthesized 15 cyclopeptide GG‐8‐6 analogues. Their purities were detected by HPLC, and their structures were characterized by HR‐QTOF‐MS, 1H and 13C NMR together with X‐ray crystal analysis. Among these analogues, compound 8, containing two d‐amino acids, gave the highest total yield of 72.5%. Moreover, all analogues were evaluated for their antihepatocellular carcinoma activities by MTT experiments. Compound 14 showed better specificity against Huh7 and HepG2 cell lines with IC50 values of 8.59 ± 0.97 μM and 7.34 ± 0.33 μM, respectively, while possessing more than four times total yield compared to the lead compound GG‐8‐6. In addition, an ATP assay for some representative compounds was carried out to confirm their anti‐hepatocellular carcinoma activity.
N‐([1,1ʹ‐biaryl]‐4‐yl)‐1‐naphthamide‐based scaffolds synthesis, their cheminformatics analyses, and screening as bacterial biofilm inhibitor
Authors: Ejaz Saba , Zubair Muhammad , Rasool Nasir , Ahmed Faiz , Bilal Muhammad , Ahmad Gulraiz , Altaf Ataf A. , Shah Syed A. A. , Rizwan Komal 
Published: November 2021

AbstractNaphthamides have pharmacological potential as they express strong activities against microorganisms. The commercially available naphthoyl chloride and 4‐bromoaniline were condensed in dry dichloromethane (DCM) in the presence of Et3N to form N‐(4‐bromophenyl)‐1‐naphthamide (86%) (3). Using a Pd(0) catalyzed Suzuki–Miyaura Cross‐Coupling reaction of (3) and various boronic acids, a series of N‐([1,1ʹ‐biaryl]‐4‐yl)‐1‐naphthamide derivatives (4a–h) were synthesized in moderate to good yields. The synthesized derivatives were evaluated for cytotoxicity haemolytic assay and biofilm inhibition activity through in silico and in vitro studies. Molecular docking, ADME (absorption, distribution, metabolism, and excretion), toxicity risk, and other cheminformatics predict synthesized molecules as biologically active moieties, further validated through in vitro studies in which compounds (4c) and (4f) showed significant haemolytic activity whereas (4e) exhibited an efficient biofilm inhibition activity against Gram‐negative bacteria Escherichia coli and Gram‐positive bacteria Bacillus subtilis. When forming biofilms, bacteria become resistant to various antimicrobial treatments. Currently, research is focused on the development of agents that inhibit biofilm formation, thus the present work is valuable for preventing future drug resistance.
A unified dataset of colocated sewage pollution, periphyton, and benthic macroinvertebrate community and food web structure from Lake Baikal (Siberia)
Authors: Meyer Michael F. , Ozersky Ted , Woo Kara H. , Shchapov Kirill , Galloway Aaron W. E. , Schram Julie B. , Snow Daniel D. , Timofeyev Maxim A. , Karnaukhov Dmitry Yu. , Brousil Matthew R. , Hampton Stephanie E. 
Published: October 2021

AbstractSewage released from lakeside development can introduce nutrients and micropollutants that can restructure aquatic ecosystems. Lake Baikal, the world's most ancient, biodiverse, and voluminous freshwater lake, has been experiencing localized sewage pollution from lakeside settlements. Nearby increasing filamentous algal abundance suggests benthic communities are responding to localized pollution. We surveyed 40‐km of Lake Baikal's southwestern shoreline from 19 to 23 August 2015 for sewage indicators, including pharmaceuticals, personal care products, and microplastics, with colocated periphyton, macroinvertebrate, stable isotope, and fatty acid samplings. The data are structured in a tidy format (a tabular arrangement familiar to limnologists) to encourage reuse. Unique identifiers corresponding to sampling locations are retained throughout all data files to facilitate interoperability among the dataset's 150+ variables. For Lake Baikal studies, these data can support continued monitoring and research efforts. For global studies of lakes, these data can help characterize sewage prevalence and ecological consequences of anthropogenic disturbance across spatial scales.
Miniaturized Origami Robots: Actuation Approaches and Potential Applications
Authors: Tang, Junjie , Wei Fanan 
Published: October 2021

AbstractOrigami, a paper folding art, has inspired engineering applications in various fields for decades. It provides a simple approach to realize the transformation between simple 2D composite sheets and complex 3D functional structures. By integrating the origami concept with smart materials, a number of advanced origami robots have been developed with self‐deploying and programming capacities to respond to external environment stimuli. At present, miniaturized origami robots have demonstrated advantages in many‐profile applications, including bio‐inspired robotics, biomedical engineering, and environment monitoring. However, how to properly drive origami robots is a big challenge. In this paper, the investigation and analyses of the previous literature focus on the various actuations of miniaturized origami robots, including the magnetic, light, electric, swelling, motors, thermal, and other actuation methods. Finally, the article investigates applications of actuation methods for miniaturized origami robots with various functions, and discusses the challenges and opportunities in future applications.
Characterization of promoters in archaeal genomes based on DNA structural parameters
Authors: Martinez Gustavo Sganzerla , Sarkar Sharmilee , Kumar Aditya , Pérez‐Rueda Ernesto , de Avila e Silva Scheila 
Published: October 2021

AbstractThe transcription machinery of archaea can be roughly classified as a simplified version of eukaryotic organisms. The basal transcription factor machinery binds to the TATA box found around 28 nucleotides upstream of the transcription start site; however, some transcription units lack a clear TATA box and still have TBP/TFB binding over them. This apparent absence of conserved sequences could be a consequence of sequence divergence associated with the upstream region, operon, and gene organization. Furthermore, earlier studies have found that a structural analysis gains more information compared with a simple sequence inspection. In this work, we evaluated and coded 3630 archaeal promoter sequences of three organisms, Haloferax volcanii, Thermococcus kodakarensis, and Sulfolobus solfataricus into DNA duplex stability, enthalpy, curvature, and bendability parameters. We also split our dataset into conserved TATA and degenerated TATA promoters to identify differences among these two classes of promoters. The structural analysis reveals variations in archaeal promoter architecture, that is, a distinctive signal is observed in the TFB, TBP, and TFE binding sites independently of these being TATA‐conserved or TATA‐degenerated. In addition, the promoter encountering method was validated with upstream regions of 13 other archaea, suggesting that there might be promoter sequences among them. Therefore, we suggest a novel method for locating promoters within the genome of archaea based on DNA energetic/structural features.
Neurofilament Light Chain Predicts Disease Severity and Progression in Multiple System Atrophy
Authors: Zhang Lingyu , Cao Bei , Hou Yanbing , Gu Xiaojing , Wei Qianqian , Ou Ruwei , Zhao Bi , Luo Chunyan , Shang Huifang 
Published: November 2021

ABSTRACTBackgroundNeurofilament light chain (NFL), a potential biomarker of multiple system atrophy (MSA), has been reported in several studies.ObjectivesThe objective of this study was to investigate whether plasma NFL levels are correlated with the progression of motor and cognition function in MSA.MethodsPatients with MSA were part of a prospective cohort study with assessments at baseline and after 1 year. Plasma NFL was quantified using ultrasensitive Simoa technology.ResultsA total of 91 patients with MSA and 60 healthy controls (HCs) were enrolled. NFL levels increased from baseline to 1‐year follow‐up (P = 0.010). Baseline plasma NFL levels were significantly associated with motor severity and progression in patients with MSA (P < 0.05) but not with cognitive progression (P > 0.05).ConclusionsPlasma NFL is a reliable biomarker for the disease severity of MSA and monitoring the progression of MSA, but not the progression of cognition. © 2021 International Parkinson and Movement Disorder Society
Lipidomic landscape in cancer: Actionable insights for membrane‐based therapy and diagnoses
Authors: Agarwala Prema K. , Aneja Ritu , Kapoor Shobhna 
Published: November 2021

AbstractCancer cells display altered cellular lipid metabolism, including disruption in endogenous lipid synthesis, storage, and exogenous uptake for membrane biogenesis and functions. Altered lipid metabolism and, consequently, lipid composition impacts cellular function by affecting membrane structure and properties, such as fluidity, rigidity, membrane dynamics, and lateral organization. Herein, we provide an overview of lipid membranes and how their properties affect cellular functions. We also detail how the rewiring of lipid metabolism impacts the lipidomic landscape of cancer cell membranes and influences the characteristics of cancer cells. Furthermore, we discuss how the altered cancer lipidome provides cues for developing lipid‐inspired innovative therapeutic and diagnostic strategies while improving our limited understanding of the role of lipids in cancer initiation and progression. We also present the arcade of membrane characterization techniques to cement their relevance in cancer diagnosis and monitoring of treatment response.
Vakzine: Gut umhüllt zum Ziel
Authors: Ehrensberger Christian 
Published: November 2021

AbstractEinen mRNA‐Impfstoff gegen das Sars‐CoV‐2‐Virus in großen Mengen herzustellen ist kein Problem. Als Flaschenhals erweisen sich dagegen die Verpackungen, darunter die Lipide, die ihn schützen.
Blaue Zufallsstunde
Authors: Offermanns Heribert 
Published: November 2021

AbstractDas Zitat von Mark Twain „Nenne mir den größten aller Erfinder: Es ist der Zufall“ trifft besonders für Blaupigmente zu. Beispiele sind die Entdeckung des Berliner Blaus im Jahr 1706 oder die Herstellung des Cu‐Phthalocyanins im Jahr 1928. Selbst heute noch kann man unverhofft Blau sehen – etwa im Jahr 2009 bei der Entdeckung des YInMn‐Blaus.
Trendbericht Theoretische Chemie 1/2: Lichtgetriebene Reaktionen unter der Theorielupe
Authors: Faraji Shirin 
Published: November 2021

AbstractPhotoinduzierte Prozesse sind elementar in unserem Leben und Techniken zur Umwandlung von Energie, etwa von Sonnenlicht in Strom. Moderne Ultrakurzzeitspektroskopie ermöglicht es, solche chemischen Prozesse in Echtzeit zu beobachten. Aber nur im Wechselspiel aus Theorie und Experiment lassen sich die experimentellen Beobachtungen in ein mechanistisches Bild übersetzen. Daher ist eine realistische theoretische Beschreibung unentbehrlich.
Trendbericht Theoretische Chemie 2/2: Mit dem Computer zu effizienteren Katalysatoren
Authors: Podewitz Maren 
Published: November 2021

AbstractTheoretische und Computerchemie können als Grundpfeiler dienen, um homogene Katalysatoren zu verbessern. Dabei klären sie mit Operando‐Modellen nicht nur die Funktionsweise der Katalysatoren, sondern sagen diese auch vorher.
Improvement of insulation properties of glass fiber fabric/epoxy composites modified by polymeric and inorganic fillers
Authors: Altay Pelin , Uçar Nuray 
Published: October 2021

AbstractGlass fiber fabric‐reinforced epoxy composites (GEC) have some weakness on both thermal insulation and sound absorption insulation, which are very important for many application areas such as aircraft, train, and so on. The main aim of this study is to improve both sound absorbent and thermal insulation properties of GEC by incorporating different fillers such as hollow glass microspheres (HGMs), polystyrene (PS) microfiber membrane, and PS solution. Results show that incorporation of PS solution into glass fiber fabric epoxy composite (GEC‐PS) provides higher sound absorption coefficient leading to an increase in the max SAC value from 0.1 to 0.4 and improvement in thermal insulation by decrease of thermal conductivity coefficient of GEC from 0.48 to 0.448 W/mK. Thermal insulation properties of GEC were improved by the use of PS microfiber membrane, which decreases the thermal conductivity coefficient of GEC from 0.48 to 0.438 W/mK. HGM did not improve both the thermal insulation and sound absorption insulation properties of GEC due to the agglomeration.
Feasibility of an intensive interprofessional lifestyle medicine program for patients with musculoskeletal conditions in the setting of lifestyle‐related chronic disease
Authors: Prather Heidi , Fogarty Alexandra E. , Cheng Abby L. , Wahl Garett , Hong Barry , Hunt Devyani 
Published: October 2021

AbstractBackgroundLifestyle factors are associated with musculoskeletal pain and metabolic chronic diseases. To date, intensive lifestyle medicine programs have predominantly targeted metabolic rather than musculoskeletal conditions.ObjectiveTo assess the feasibility of an intensive interprofessional lifestyle medicine program for patients with musculoskeletal conditions.DesignProspective observational feasibility study.SettingTertiary academic medical center.PatientsAdults diagnosed with musculoskeletal condition(s) and lifestyle‐related chronic disease(s) who previously completed standard‐of‐care musculoskeletal treatments, enrolled from 2018 to 2020.InterventionsPatients enrolled in an intensive interprofessional lifestyle medicine program led by a physiatrist, with options to interface with an acupuncturist, dietician, massage therapist, psychologist, physical therapist, and smoking cessation specialist. The physiatrist engaged in shared decision making with patients to establish program goals related to function, overall health, and required lifestyle changes. Bimonthly interprofessional team conferences facilitated communication between treatment team and patients.Main Outcome MeasuresFeasibility was measured by patient participation and goal attainment. Secondary outcomes included changes from program enrollment to discharge in patient anthropometric, metabolic lab, sleep apnea risk, and Patient‐Reported Outcomes Measurement Information System (PROMIS) function, pain, and behavioral health measures.ResultsTwenty‐six patients enrolled in the program (18 [69%] female, mean age 59 [SD 14.5] years, baseline hemoglobin A1c 6.0% [0.8%], high‐sensitivity C‐reactive protein 7.7 [12.1] mg/dL, 25‐hydroxy vitamin D 32.0 [14.2] ng/mL). Of 21 (81%) patients who completed the program, 13/21 (62%) met their goal. On average, program completers presented for 26.2 (10.6) total visits over 191 (88) days. By discharge, program completers achieved clinically meaningful improvement in PROMIS Anxiety (mean difference −3.5 points, 95% confidence interval [−6.5 to 0.5], p = .035), whereas noncompleters did not (p > .05).ConclusionsAn intensive interprofessional lifestyle medicine program for patients with musculoskeletal conditions is feasible. With training in lifestyle intervention, physiatrists are well suited to lead interprofessional teams aimed at assisting patients in making lifestyle changes to achieve personalized function‐ and health‐related goals.
Behind the scenes: On the relationship between developer experience and refactoring
Authors: Alomar Eman Abdullah , Peruma Anthony , Mkaouer Mohamed Wiem , Newman Christian D. , Ouni Ali 
Published: October 2021

AbstractRefactoring is widely recognized as one of the efficient techniques to manage technical debt and maintain a healthy software project through enforcing best design practices, or coping with design defects. Previous refactoring surveys have shown that code refactoring activities are mainly executed by developers who have sufficient knowledge of the system's design, and disposing of leadership roles in their development teams. However, these surveys were mainly limited to specific projects and companies. In this paper, we explore the generalizability of the previous results by analyzing 800 open‐source projects. We mine their refactoring activities, and we identify their corresponding contributors. Then, we associate an experience score to each contributor in order to test various hypotheses related to whether developers with higher scores tend to (1) perform a higher number of refactoring operations, (2) exhibit different motivations behind their refactoring, and (3) better document their refactoring activity. We found that (1) although refactoring is not restricted to a subset of developers, those with higher contribution scores tend to perform more refactorings than others; (2) although there is no correlation between experience and motivation behind refactoring, top contributed developers are found to perform a wider variety of refactoring operations, regardless of their complexity; and (3) top contributed developer tend to document less their refactoring activity. Our qualitative analysis of three randomly sampled projects shows that the developers who are responsible for the majority of refactoring activities are typically in advanced positions in their development teams, demonstrating their extensive knowledge of the design of the systems they contribute to.
Science and Society an Overview of the Problem
Authors: Miedema Frank 
Published: October 2021

AbstractScience in the recent past promised to society to contribute to the grand challenges of the United Nations, UNESCO, WHO, the EU agenda and national agendas for change and improvement of our life, the human condition. In this chapter it will be briefly discussed how this social contract between science and society has developed since 1945. In the context of this book I distinguish three time periods, but I do realize slightly different time periods may be preferred, based on the perspective taken. The first phase from 1945 till 1960 is characterized by autonomy, building on the successes of the natural sciences and engineering in World War II. In the second phase, the late sixties till approximately 1980, government and the public lost trust and saw the downside of science and technology. The response from politics and the public was to call for societal and political responsible research inspired by broader socio-political developments in society. The third phase from 1990 till 2010 was one of renewed enthusiasm and hope that science and technology would bring economic growth, which should make nations internationally competitive. There increasingly was also room for societal problems related to environment and sustainability, health and well-being. In this approach of the so-called knowledge economy, with the world-wide embracing of neoliberal politics, strong relations with government and the private sector were established. This was accompanied by short-term accountability, control from government and funders at the level of project output, using accordingly defined metrics and indicators. Because of this, this model became firmly and globally institutionalized.
Science for, in and with Society: Pragmatism by Default
Authors: Miedema Frank 
Published: October 2021

AbstractTo rethink the relation between science and society and its current problems authoritative scholars in the US and Europe, but also around the globe, have since 1980 implicitly and increasingly explicitly gone back to the ideas of American pragmatism. Pragmatism as conceived by its founders Peirce, James and Dewey is known for its distinct philosophy/sociology of science and political theory. They argued that philosophy should not focus on theoretical esoteric problems with hair-splitting abstract debates of no interest to scientists because unrelated to their practice and problems in the real world. In a realistic philosophy of science, they did not accept foundationalism, dismissed the myth of given eternal principles, the unique ‘scientific method’, absolute truths or let alone a unifying theory. They saw science as a plural, thoroughly social activity that has to be directed to real world problems and subsequent interventions and action. ‘Truth’ in their sense was related to the potential and possible impact of the proposition when turned in to action. Knowledge claims were regarded per definition a product of the community of inquirers, fallible and through continuous testing in action were to be improved. Until 1950, this was the most influential intellectual movement in the USA, but with very little impact in Europe. Because of the dominance of the analytic positivistic approach to the philosophy of science, after 1950 it lost it standing. After the demise of analytical philosophy, in the 1980s of the previous century, there was a resurgence of pragmatism led by several so-called new or neo-pragmatists. Influential philosophers like Hillary Putnam and Philip Kitcher coming from the tradition of analytic philosophy have written about their gradual conversion to pragmatism, for which in the early days they were frowned upon by their esteemed colleagues. This new pragmatist movement gained traction first in the US, in particular through works of Bernstein, Toulmin, Rorty, Putnam and Hacking, but also gained influence in Europe, early on though the works of Apel, Habermas and later Latour.
Epilogue: Open Science in an Open Society
Authors: Miedema Frank 
Published: October 2021

AbstractThe European Union has chosen Open Science as the way to do science and research based on its cultural and social values. Open Science can only really thrive in democracies and Open Societies to the benefit of humanity. This relationship between science, scientists and society is not trival and sometimes endangered, therefore we need to continuously engage in research with and for society.
Tumor Budding beim kolorektalen Karzinom – Informationen zur klinischen Anwendung und Anleitung zur praktischen Bestimmung
Authors: Müller Felix , Lugli Alessandro , Dawson Heather 
Published: November 2021

Zusammenfassung
Hintergrund
Bei einzelnen Patienten mit kolorektalen Karzinomen (CRC) zeigt sich ein schlechter klinischer Verlauf innerhalb desselben UICC-Stadiums (Union for International Cancer Control). Die Identifizierung von zusätzlichen Risikofaktoren ist daher notwendig, um eine optimale Therapieplanung zu erreichen.

Fragestellung
In welchen Situationen kann Tumor Budding die klinische Therapieentscheidung beeinflussen und wie sollte die standardisierte Auswertung erfolgen?

Material und Methode
Aktuelle Publikationen zum Thema Tumor Budding werden mit Fokus auf die praktische Anwendung und potenzielle Problemfälle in der Bestimmung des Tumor Buddings erläutert.

Ergebnisse
Tumor Budding ist ein signifikanter Risikofaktor für einen schlechteren Verlauf des CRC und kann bei pT1-Karzinomen sowie Stadium-II-Karzinomen die Behandlung beeinflussen. Die Auswertung wurde durch die International Tumor Budding Consensus Conference (ITBCC) 2016 standardisiert und ist in der Praxis anwendbar. Schwierigkeiten in der Anwendung können durch die Kenntnis von potenziellen Problemfällen vermieden werden.