bluuebunny/crossref_metadata_2025 huggingface dataset:
Unmasking the Phantom of the Opera: Is there a Hidden Secretariat in the WTO Dispute Settlement System?
Authors: Marceau Gabrielle , Venkataraman Akshaya
Published: December 2022

In their article “Who Guards the ‘Guardians of the System’? The Role of the Secretariat in WTO Dispute Settlement,” Joost Pauwelyn and Krzysztof Pelc recharacterize the World Trade Organization's Dispute Settlement System (DSS) as a sui generis administrative review system wherein the “Guardians of the System,” i.e., the Secretariat, no longer merely “assists” panels and the Appellate Body (AB) in their reports, but also exerts influence and control over adjudicators. For them “‘the guardians of the system’ may have contributed to the system's demise by the expansion of their influence.” This Essay attempts to illustrate that Pauwelyn and Pelc's fatalistic view of the DSS is overstated, by providing some comments into the practical functioning of the DSS. We argue that, first, the “guardians of the system” are also restrained by suitable accountability mechanisms in their functions relating to appointment and financial “oversight” of adjudicators. Second, while acknowledging that the Secretariat retains a much stronger institutional memory than adjudicators, we suggest that this asymmetry between the staff and adjudicators’ familiarity with World Trade Organization (WTO) law and policy is not as stark and irredeemable as painted by the authors. Rather, the Secretariat's contribution to consistency and predictability in institutional decisions is ultimately desirable. For governments who established and make use of the WTO dispute system, the balance between ensuring legal coherence and preventing over-judicialization is at the core of the DSS. The participation of diplomats as panelists and the simultaneous creation of an office of Legal Affairs within the Secretariat was intended to ensure consistency in resolution of the members’ disputes to preserve a rules-based system. Finally, we contend that there is a strong internal legitimacy to Secretariat roles.
The Memphis Pandemic Health Informatics System (MEMPHI-SYS)—Creating a Metropolitan COVID-19 Data Registry Linked Directly to Community Testing to Enhance Population Health Surveillance
Authors: Schwartz David L. , Stewart Altha , Harris Laura , Ozdenerol Esra , Thomas Fridtjof , Johnson Karen C. , Davis Robert , Shaban-Nejad Arash
Published: December 2022

The current coronavirus disease (COVID-19) pandemic has placed unprecedented strain on underfunded public health resources in the Southeastern United States. The Memphis, TN, metropolitan region has lacked infrastructure for health data exchange.

This manuscript describes a multidisciplinary initiative to create a community-focused COVID-19 data registry, theMemphis Pandemic Health Informatics System (MEMPHI-SYS). MEMPHI-SYS leverages test result data updated directly from community-based testing sites, as well as a full complement of public health data sets and knowledge-based informatics. It has been guided by relationships with community stakeholders and is managed alongside the largest publicly funded community-based COVID-19 testing response in the Mid-South. MEMPHI-SYS has supported interactive Web-based analytic resources and informs federally funded COVID-19 outreach directed toward neighborhoods most in need of pandemic support.

MEMPHI-SYS provides an instructive case study of how to collaboratively establish the technical scaffolding and human relationships necessary for data-driven, health equity-focused pandemic surveillance, and policy interventions.
Reviewing the concept of design frames towards a cognitive model
Authors: Kelly Nick , Gero John S.
Published: December 2022

This paper critically reviews literature about design framing to clarify an understanding of what is meant by the construct of a design frame. It describes the origins of the term design frame and characterises three distinct definitions that can be found within the literature. It reviews empirical studies of design framing to highlight definitional confusion between studies. It discusses the significance of Dorst’s propositional model of design frames and juxtaposes design frames with other related constructs. It clarifies ways that the resolution of nomenclature for describing design framing might lead to a more coherent body of empirical research into this topic. It suggests that there is value in developing a better cognitive model of design framing and outlines potential steps towards such a model.
Post-Socialist Political Necromancy: Weaponization of Dead Bodies in Czech Culture Wars
Authors: Naxera Vladimír , Krčál Petr
Published: December 2022

This article contributes to discussions on culture wars, memory politics, and the politics of dead bodies. It uses the example of the annual celebration of the liberation of the city of Pilsen by the American army in 1945 to demonstrate the use of the concept of “political necromancy.” The Pilsen celebrations are one of the events during which participating politicians use fallen (or suffering) soldiers as an argument to support current political goals. Metaphorically, the politician as a necromancer brings the fallen back to life and sends them as an army of the dead to fight in culture wars and memory wars. The article focuses on introducing the different strategies used in this process (depersonalizing the fallen or creating a ghost hero) and shows how dead bodies and the appropriate use of memory politics are used to bolster foreign policy ties to the US and to lash out against Russia and communism.
Non-tuberculous mycobacteria: clinical and laboratory characterisation (2009 and 2019)
Authors: Lopes Mariana , Batista Micaela , Garcia Teresa , Alves Helena , Boaventura Luísa , Pontes Celeste , Rodrigues Fernando
Published: December 2022

A cross-sectional and retrospective study of patients with Mycobacterium spp. in a Portuguese tertiary hospital, in 2009 and 2019, was performed to understand better the rise in isolations of nontuberculous mycobacteria (NTM). The number of patients with positive samples for Mycobacterium spp. grew from 56 in 2009 to 83 in 2019. The proportion of NTM rose from 39.3% to 49.4% (P = 0.240), with Mycobacterium avium complex being more frequent in 2009 and Mycobacterium gordonae in 2019, and Mycobacterium tuberculosis complex decreased from 60.7% to 50.6%. Higher age was associated with NTM in both years, and pulmonary disease and immunosuppression were associated with NTM in 2019 (P < 0.05), with weak to moderate correlation (V = 0.231–0.343). The overall rise of NTM, allied to their known capacity to resist antimicrobial therapy, alerts clinicians to the importance of recognising potential risk factors for infection and improving future prevention strategies.
ULF Waves/Fluctuations in the Distant Foreshock: Statistical Approach
Authors: Salohub A. , Šafránková J. , Němeček Z. , Němec F. , Pi G.
Published: December 2022

A broad statistical study addresses for the first time an evolution of ultra‐low frequency waves and/or fluctuations in the terrestrial foreshock around the Moon generated through the interaction between the back‐streaming particles reflected from the bow shock and the incoming solar wind. It is supposed that the waves propagate sunward but they are convected by the solar wind flow back toward the bow shock and their amplitudes grow. However, our study shows that waves/fluctuations could be growing as well as decaying toward the bow shock under the quasi‐radial interplanetary magnetic field. We demonstrate that the growth rate is positive and larger for compressive variations of the magnetic field strength and density than for components of the magnetic field. We show that even if a possible influence of the Moon and its wake is excluded, the growth rate is decreased by nonlinear effects.
Modeling the Genesis of Sand‐Starved Dunes in Steady Currents
Authors: Porcile Gaetano , Damveld Johan H. , Roos Pieter C. , Blondeaux Paolo , Colombini Marco
Published: December 2022

The formation of fluvial dunes is usually studied by investigating the time development of a small amplitude bottom perturbation of a uniform stream and considering that the dunes originate by the growth of the bottom mode characterized by the largest amplification rate under the assumption of an infinite availability of the mobile sediment (linear stability analysis). Here we undertake the stability analysis investigating the formation of sand dunes in steady currents by accounting for the nonlinear effects of sediment starvation on the formative mechanisms of the bedforms and comparing the theoretical results with laboratory experiments, and an application of a fully nonlinear commercial model of finite amplitude dunes, thus enabling an improved understanding of the genesis of starved fluvial dunes. As the growth of the dunes progressively exposes the motionless substratum, both the stability‐based and the numerical models predict starved dunes characterized by increasing crest‐to‐crest distances. The increase of the crest‐to‐crest distance corresponds to a decrease of the length of individual dunes as well as a growing irregularity in their spacing and morphology. These findings conform with the outcome of physical experiments performed earlier in a laboratory flume and existing measurements of starved fluvial dunes in the field.
Interspecies competition in oral biofilms mediated by Streptococcus gordonii extracellular deoxyribonuclease SsnA
Authors: Rostami Nadia , Shields Robert C. , Serrage Hannah J. , Lawler Catherine , Brittan Jane L. , Yassin Sufian , Ahmed Halah , Treumann Achim , Thompson Paul , Waldron Kevin J. , Nobbs Angela H. , Jakubovics Nicholas S.
Published: December 2022

Extracellular DNA (eDNA) is a key component of many microbial biofilms including dental plaque. However, the roles of extracellular deoxyribonuclease (DNase) enzymes within biofilms are poorly understood. Streptococcus gordonii is a pioneer colonizer of dental plaque. Here, we identified and characterised SsnA, a cell wall-associated protein responsible for extracellular DNase activity of S. gordonii. The SsnA-mediated extracellular DNase activity of S. gordonii was suppressed following growth in sugars. SsnA was purified as a recombinant protein and shown to be inactive below pH 6.5. SsnA inhibited biofilm formation by Streptococcus mutans in a pH-dependent manner. Further, SsnA inhibited the growth of oral microcosm biofilms in human saliva. However, inhibition was ameliorated by the addition of sucrose. Together, these data indicate that S. gordonii SsnA plays a key role in interspecies competition within oral biofilms. Acidification of the medium through sugar catabolism could be a strategy for cariogenic species such as S. mutans to prevent SsnA-mediated exclusion from biofilms.
Graphene oxide elicits microbiome-dependent type 2 immune responses via the aryl hydrocarbon receptor
Authors: Peng Guotao , Sinkko Hanna M. , Alenius Harri , Lozano Neus , Kostarelos Kostas , Bräutigam Lars , Fadeel Bengt
Published: December 2022

The gut microbiome produces metabolites that interact with the aryl hydrocarbon receptor (AhR), a key regulator of immune homoeostasis in the gut1,2. Here we show that oral exposure to graphene oxide (GO) modulates the composition of the gut microbiome in adult zebrafish, with significant differences in wild-type versus ahr2-deficient animals. Furthermore, GO was found to elicit AhR-dependent induction of cyp1a and homing of lck+ cells to the gut in germ-free zebrafish larvae when combined with the short-chain fatty acid butyrate. To obtain further insights into the immune responses to GO, we used single-cell RNA sequencing to profile cells from whole germ-free embryos as well as cells enriched for lck. These studies provided evidence for the existence of innate lymphoid cell (ILC)-like cells3 in germ-free zebrafish. Moreover, GO endowed with a ‘corona’ of microbial butyrate triggered the induction of ILC2-like cells with attributes of regulatory cells. Taken together, this study shows that a nanomaterial can influence the crosstalk between the microbiome and immune system in an AhR-dependent manner.
Programming multicellular assembly with synthetic cell adhesion molecules
Authors: Stevens Adam J. , Harris Andrew R. , Gerdts Josiah , Kim Ki H. , Trentesaux Coralie , Ramirez Jonathan T. , McKeithan Wesley L. , Fattahi Faranak , Klein Ophir D. , Fletcher Daniel A. , Lim Wendell A.
Published: December 2022

Cell adhesion molecules are ubiquitous in multicellular organisms, specifying precise cell–cell interactions in processes as diverse as tissue development, immune cell trafficking and the wiring of the nervous system1–4. Here we show that a wide array of synthetic cell adhesion molecules can be generated by combining orthogonal extracellular interactions with intracellular domains from native adhesion molecules, such as cadherins and integrins. The resulting molecules yield customized cell–cell interactions with adhesion properties that are similar to native interactions. The identity of the intracellular domain of the synthetic cell adhesion molecules specifies interface morphology and mechanics, whereas diverse homotypic or heterotypic extracellular interaction domains independently specify the connectivity between cells. This toolkit of orthogonal adhesion molecules enables the rationally programmed assembly of multicellular architectures, as well as systematic remodelling of native tissues. The modularity of synthetic cell adhesion molecules provides fundamental insights into how distinct classes of cell–cell interfaces may have evolved. Overall, these tools offer powerful abilities for cell and tissue engineering and for systematically studying multicellular organization.
An evaluation of online Edcraft gamified learning (EGL) to understand motivation and intention of recycling among youth
Authors: Cheng Kin Meng , Koo Ah Choo , Nasir Junita Shariza Binti Mohd , Wong Shen Yuong
Published: December 2022

Recycling is a process carried out by various organizations and individuals to enhance the environment’s long-term sustainability. Some youth think that recycling is a monotonous action as it may seem inconvenient, less aware of the environmental issues and more time-consuming than they think and rather go for video games. Therefore, this study investigates the relationship between motivation and recycling intention in gamified learning among youth. To address the research aim, this study uses gamification as a motivational driver for a game-like learning experience to improve recycling intentions among youth. Self-determination theory (SDT) and the theory of Planned Behavior (TPB) will be this study's main motivational and behavioral theories. (n = 124) high schools and college students were invited to take part in an online gamified recycling activity, Edcraft Gamified Learning (EGL), consisting of two levels of gamified unused plastic-crafting recycling activities. After the activity, the participants will answer a post-event questionnaire and the data collected were analyzed. The result shows that controlled motivation (CM) and autonomous motivation (AM) positively influenced youth attitudes and social norms. Besides, attitude is the only psychosocial determinant that positively influences the recycling intention of the youth. Gamification only moderates positively between attitude and recycling intention. This study has clearly shown the effectiveness of gamified learning activity towards recycling intention directly and as a component that moderates the relationship between attitude and recycling intention, which shows a favorable evaluation towards recycling intention with gamified learning involved. Moreover, the findings showed that not all relationships are positive in a gamified learning environment, and it gives a good view on the weakness and strengths with the guideline of SDT and TPB.
scATAC-Seq reveals heterogeneity associated with spermatogonial differentiation in cultured male germline stem cells
Authors: Suen Hoi Ching , Luk Alfred Chun Shui , Liao Jinyue
Published: December 2022

Spermatogonial stem cells are the most primitive spermatogonia in testis, which can self-renew to maintain the stem cell pool or differentiate to give rise to germ cells including haploid spermatids. All-trans-retinoic acid (RA), a bioactive metabolite of vitamin A, plays a fundamental role in initiating spermatogonial differentiation. In this study, single-cell ATAC-seq (scATAC-seq) was used to obtain genome-wide chromatin maps of cultured germline stem cells (GSCs) that were in control and RA-induced differentiation states. We showed that different subsets of GSCs can be distinguished based on chromatin accessibility of self-renewal and differentiation signature genes. Importantly, both progenitors and a subset of stem cells are able to respond to RA and give rise to differentiating cell subsets with distinct chromatin accessibility profiles. In this study, we identified regulatory regions that undergo chromatin remodeling and are associated with the retinoic signaling pathway. Moreover, we reconstructed the differentiation trajectory and identified novel transcription factor candidates enriched in different spermatogonia subsets. Collectively, our work provides a valuable resource for understanding the heterogeneity associated with differentiation and RA response in GSCs.
Paraoxonase-2 contributes to promoting lipid metabolism and mitochondrial function via autophagy activation
Authors: Shin Gu-Choul , Lee Hyeong Min , Kim Nayeon , Yoo Sang-Ku , Park Hyung Soon , Choi Leo Sungwong , Kim Kwang Pyo , Lee Ah-Ra , Seo Sang-Uk , Kim Kyun-Hwan
Published: December 2022

Non-alcoholic fatty liver disease (NAFLD) is an increasingly prevalent immuno-metabolic disease that can progress to hepatic cirrhosis and cancer. NAFLD pathogenesis is extremely complex and is characterized by oxidative stress, impaired mitochondrial function and lipid metabolism, and cellular inflammation. Thus, in-depth research on its underlying mechanisms and subsequent investigation into a potential drug target that has overarching effects on these features will help in the discovery of effective treatments for NAFLD. Our study examines the role of endogenous paraoxonase-2 (PON2), a membrane protein with reported antioxidant activity, in an in vitro cell model of NAFLD. We found that the hepatic loss of PON2 activity aggravated steatosis and oxidative stress under lipotoxic conditions, and our transcriptome analysis revealed that the loss of PON2 disrupts the activation of numerous functional pathways closely related to NAFLD pathogenesis, including mitochondrial respiratory capacity, lipid metabolism, and hepatic fibrosis and inflammation. We found that PON2 promoted the activation of the autophagy pathway, specifically the mitophagy cargo sequestration, which could potentially aid PON2 in alleviating oxidative stress, mitochondrial dysfunction, lipid accumulation, and inflammation. These results provide a mechanistic foundation for the prospect of PON2 as a drug target, leading to the development of novel therapeutics for NAFLD.
A two-phase model of collective memory decay with a dynamical switching point
Authors: Igarashi Naoki , Okada Yukihiko , Sayama Hiroki , Sano Yukie
Published: December 2022

Public memories of significant events shared within societies and groups have been conceptualized and studied as collective memory since the 1920s. Thanks to the recent advancement in digitization of public-domain knowledge and online user behaviors, collective memory has now become a subject of rigorous quantitative investigation using large-scale empirical data. Earlier studies, however, typically considered only one dynamical process applied to data obtained in just one specific event category. Here we propose a two-phase mathematical model of collective memory decay that combines exponential and power-law phases, which represent fast (linear) and slow (nonlinear) decay dynamics, respectively. We applied the proposed model to the Wikipedia page view data for articles on significant events in five categories: earthquakes, deaths of notable persons, aviation accidents, mass murder incidents, and terrorist attacks. Results showed that the proposed two-phase model compared favorably with other existing models of collective memory decay in most of the event categories. The estimated model parameters were found to be similar across all the event categories. The proposed model also allowed for detection of a dynamical switching point when the dominant decay dynamics exhibit a phase shift from exponential to power-law. Such decay phase shifts typically occurred about 10 to 11 days after the peak in all of the five event categories.
Comparative proteoinformatics revealed the essentials of SDS impact on HaCaT keratinocytes
Authors: Shkrigunov Timur , Kisrieva Yulia , Samenkova Natalia , Larina Olesya , Zgoda Victor , Rusanov Alexander , Romashin Daniil , Luzgina Natalia , Karuzina Irina , Lisitsa Andrey , Petushkova Natalia
Published: December 2022

There is no direct evidence supporting that SDS is a carcinogen, so to investigate this fact, we used HaCaT keratinocytes as a model of human epidermal cells. To reveal the candidate proteins and/or pathways characterizing the SDS impact on HaCaT, we proposed comparative proteoinformatics pipeline. For protein extraction, the performance of two sample preparation protocols was assessed: 0.2% SDS-based solubilization combined with the 1DE-gel concentration (Protocol 1) and osmotic shock (Protocol 2). As a result, in SDS-exposed HaCaT cells, Protocol 1 revealed 54 differentially expressed proteins (DEPs) involved in the disease of cellular proliferation (DOID:14566), whereas Protocol 2 found 45 DEPs of the same disease ID. The ‘skin cancer’ term was a single significant COSMIC term for Protocol 1 DEPs, including those involved in double-strand break repair pathway (BIR, GO:0000727). Considerable upregulation of BIR-associated proteins MCM3, MCM6, and MCM7 was detected. The eightfold increase in MCM6 level was verified by reverse transcription qPCR. Thus, Protocol 1 demonstrated high effectiveness in terms of the total number and sensitivity of MS identifications in HaCaT cell line proteomic analysis. The utility of Protocol 1 was confirmed by the revealed upregulation of cancer-associated MCM6 in HaCaT keratinocytes induced by non-toxic concentration of SDS. Data are available via ProteomeXchange with identifier PXD035202.
Discrimination between possible sarcopenia and metabolic syndrome using the arterial pulse spectrum and machine-learning analysis
Authors: Wu Li-Wei , OuYoung Te , Chiu Yu-Chih , Hsieh Ho-Feng , Hsiu Hsin
Published: December 2022

Sarcopenia is defined as decreased skeletal muscle mass and function, and is an important cause of frailty in the elderly, also being associated with vascular lesions and poor microcirculation. The present study aimed to combine noninvasive pulse measurements, frequency-domain analysis, and machine learning (ML) analysis (1) to determine the effects on the pulse waveform induced by sarcopenia and (2) to develop discriminating models for patients with possible sarcopenia. Radial blood pressure waveform (BPW) signals were measured noninvasively for 1 min in 133 subjects who visited Tri-Service General Hospital for geriatric health checkups. They were assigned to a robust group and a possible-sarcopenia group that combined dynapenia, presarcopenia, and sarcopenia. Two classification methods were used: ML analysis and a self-developed scoring system that used 40 harmonic pulse indices as features: amplitude proportions and their coefficients of variation, and phase angles and their standard deviations. Significant differences were found in several spectral indices of the BPW between possible-sarcopenia and robust subjects. Threefold cross-validation results indicated excellent discrimination performance, with AUC equaling 0.77 when using LDA and 0.83 when using our scoring system. The present noninvasive and easy-to-use measurement and analysis method for detecting sarcopenia-induced changes in the arterial pulse transmission condition could aid the discrimination of possible sarcopenia.
One-year-later spontaneous EEG features predict visual exploratory human phenotypes
Authors: Celli Miriam , Mazzonetto Ilaria , Zangrossi Andrea , Bertoldo Alessandra , Cona Giorgia , Corbetta Maurizio
Published: December 2022

During visual exploration, eye movements are controlled by multiple stimulus- and goal-driven factors. We recently showed that the dynamics of eye movements –how/when the eye move– during natural scenes’ free viewing were similar across individuals and identified two viewing styles: static and dynamic, characterized respectively by longer or shorter fixations. Interestingly, these styles could be revealed at rest, in the absence of any visual stimulus. This result supports a role of intrinsic activity in eye movement dynamics. Here we hypothesize that these two viewing styles correspond to different spontaneous patterns of brain activity. One year after the behavioural experiments, static and dynamic viewers were called back to the lab to record high density EEG activity during eyes open and eyes closed. Static viewers show higher cortical inhibition, slower individual alpha frequency peak, and longer memory of alpha oscillations. The opposite holds for dynamic viewers. We conclude that some properties of spontaneous activity predict exploratory eye movement dynamics during free viewing.
3D magnetic imaging using electron vortex beam microscopy
Authors: Barrows Frank , Petford-Long Amanda K. , Phatak Charudatta
Published: December 2022

Electron vortex beams are free-electron waves that carry orbital angular momentum. There has been growing theoretical and experimental interest in the use of electron vortex beams as a tool for the investigation of magnetic materials. However, due to the complex wavefront of the propagating waves, a deeper understanding of the interaction of electron vortex beams and the magnetic sample is needed. Here we calculate the magnetic phase shift that an electron vortex beam obtains upon transmitting through a magnetic sample. We show that this magnetic phase shift is influenced by the out-of-plane magnetization, which is a unique characteristic of incident electron vortex beams and is proportional to their orbital angular momentum. Finally, we develop a phase retrieval methodology to retrieve the out-of-plane component of magnetization. Based on our theory, we discuss suitable experimental conditions that would enable this imaging capability for magnetic materials and further extend to non-magnetic chiral materials.
Photoreactive bioorthogonal lipid probes and their applications in mammalian biology
Authors: Shanbhag Karthik , Sharma Kavita , Kamat Siddhesh S.
Published: December 2022

This review summarizes the recent advances in the development of photoreactive bioorthogonal lipid probes, and the use of these lipid probes in mapping diverse biological pathways in mammalian cells using emerging chemoproteomic approaches.
The use of tyrosinases in a chemoenzymatic cascade as a peptide ligation strategy
Authors: Ni Yeke , Wang Yu , Tabor Alethea B. , Ward John M. , Hailes Helen C.
Published: December 2022

A new N-terminal tyrosine-containing peptide ligation method has been developed utilising tyrosinase enzymes and a subsequent Pictet-Spengler reaction with aldehydes.
Pd-catalyzed direct functionalization of glycals with cycloalkenones: application to the synthesis of chiral phenanthrenones
Authors: Maheshwari Mittali , Pandey Ram Pratap , Hussain Nazar
Published: December 2022

A palladium-catalyzed direct C–H functionalization of glycals with cycloalkenones is described and a series of C-2 functionalized glycals were synthesized efficiently with cyclic enones.The synthesised products were further transformed into chiral phenanthrenones.
Triphenylamine–anthraquinone based donor–acceptor conjugated microporous polymers for photocatalytic hydroxylation of phenylboronic acids
Authors: Sau Soumitra , Samanta Suman Kalyan
Published: December 2022

Triphenylamine–anthraquinone based donor–acceptor polymers show visible light-driven photocatalysis of various phenylboronic acids to phenols with an excellent yield of up to 96%.
Ring-fused hexahydro-1,2,4,5-tetrazines: synthesis, structure, and mechanistic studies on isolable rotational isomers
Authors: Toda Yasunori , Kooguchi Airi , Sukegawa Kimiya , Kikuchi Ayaka , Suga Hiroyuki
Published: December 2022

Here, we report the design and synthesis of isolable rotational isomers with a hexahydro-1,2,4,5-tetrazine core. The mechanism of the isomerizationviaa twist-boat conformation was elucidated by DFT calculations.
Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation
Authors: Rekha Rout Smruti , Kenguva Gowtham , Giri Lopamudra , Dandela Rambabu
Published: December 2022

Domperidone (DOM) salts with enhanced solubility may aid in the creation of innovative DOM formulations.
Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs
Authors: Naaz Sanobar , Das Pubali , Mukherjee Souvik , Khan Samim , Pramanik Goutam , Ghosh Prasanta , Frontera Antonio , Ray Partha Pratim , Mir Mohammad Hedayetullah
Published: December 2022

The formation of supramolecular assembly of 1D CP via halogen⋯halogen and π⋯π stacking interactions impacts the conductivity and Schottky nature.
Low-temperature vibronic spectroscopy of condensed chromophore exhibiting inhomogeneous distribution of vibrational frequencies in a mixed quantum-classical environment
Authors: Toutounji Mohamad
Published: December 2022

This work has been motivated by the recent paper by the author [M. Toutounji, Phys. Chem. Chem. Phys., 2021, 23, 21981] whereby a mixed quantum-classical Liouville equation was used to probe the spectroscopy and dynamics of a spin-boson system.
Structural and electronic changes in Ga–In and Ga–Sn alloys on melting
Authors: Ruffman Charlie , Lambie Stephanie , Steenbergen Krista G. , Gaston Nicola
Published: December 2022

Structural trends, such as the migration of Sn/In to surface layers, are observed on melting Ga–Sn/Ga–In alloys.
Strain effect on the field-effect sensing property of Si wires
Authors: Lin Yuan , Zhang Bingchang , Shi Yihao , Zheng Yongchao , Yu Jia , Jie Jiansheng , Zhang Xiaohong
Published: December 2022

Strain has an obvious impact on the field-effect sensing property of Si wires, which is mainly attributed to the change in adsorption energy between silicon wires and the analyte under different strains.
Recent advances in room temperature phosphorescence materials: design strategies, internal mechanisms and intelligent optical applications
Authors: Xu Xin , Yan Bing
Published: December 2022

Recent cases of room temperature materials with designed strategy, internal mechanism and optical applications have been reviewed systematically.
Deciphering the ultrafast dynamics of a new tetraphenylethylene derivative in solutions: charge separation, phenyl ring rotation and CC bond twisting
Authors: de la Hoz Tomás Mario , Yamaguchi Mao , Cohen Boiko , Hisaki Ichiro , Douhal Abderrazzak
Published: December 2022

Intricate ultrafast dynamics of a tetraphenylethylene derivative with terphenyl groups in solutions of different viscosities. It forms a charge resonance structure (∼600 fs) to give ethylene bond twisting (∼9 ps) followed by phenyl rotation (∼30 ps).
Pentagonal-bipyramidal 4d and 5d complexes with unquenched orbital angular momentum as a unique platform for advanced single-molecule magnets: current state and perspectives
Authors: Mironov V. S. , Bazhenova T. A. , Manakin Yu. V. , Yagubskii E. B.
Published: December 2022

Pentagonal-bipyramidal 4d3/5d3complexes with unquenched orbital angular momentum are a unique platform for advanced single-molecule magnets due to anisotropic Ising-type exchange interactions,H= −Jxy(Sx5dSx3d +Sy5dSy3d) −JzSz5dSz3d.
ZnAl–LDH/MOF-5 heterostructure nanocomposite for photocatalytic degradation of organic dyes under sunlight irradiation
Authors: Chakraborty Anindita , Acharya Himadri
Published: December 2022

Layered double hydroxide based metal organic framework-5 (LDH/MOF-5) nanocomposite is synthesized by in situ nucleation and directed growth of MOF-5 crystals on LDH layers.
Tunning the optical properties of a photocatalytic metal–organic framework by means of molecular modelling
Authors: Treto-Suárez Manuel A. , Hidalgo-Rosa Yoan , Ulecia Karel Mena , Páez-Hernández Dayán , Koivisto Bryan D. , Zarate Ximena , Schott Eduardo
Published: December 2022

A theoretical-computational protocol was performed to understand the optical properties, the substituent effect, and the deactivation mechanisms of a photocatalytic MOF.
Phosphorus–nitrogen compounds: part 68. Synthesis, characterization, stereogenism, photophysical and bioactivity studies of novel unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and 4-chlorobenzyl pendant arms
Authors: Cemaloğlu Reşit , Asmafiliz Nuran , Kılıç Zeynel , Çoşut Bünyemin , Sabah Büşra Nur , Açık Leyla , Çerçi Nebahat Aytuna , Hökelek Tuncer
Published: December 2022

Unsymmetrical cis/trans dispirocyclotriphosphazenes were prepared. The chiralities and photophysical properties of some compounds were determined. The biological activities of phosphazenes were investigated.
Electrocatalytic hydrogen evolution reaction by a Ni(N2O2) complex based on 2,2′-bipyridine
Authors: Dressel Julia M. , Cook Emma N. , Hooe Shelby L. , Moreno Juan J. , Dickie Diane A. , Machan Charles W.
Published: December 2022

A Ni complex containing a N2O2 ligand is active for the hydrogen evolution reaction. Mechanistic studies suggest the formation of hydrogen-bonded adducts facilitates hydride formation and near barrierless hydride protonation.
Phosphotungstic acid catalysed bioethylene synthesis under industrially relevant conditions
Authors: Peinado Cristina , Campos-Martin José M. , Rojas Sergio
Published: December 2022

The catalyst presented in this work can contribute to the development of the sustainable production of ethylene via bioethanol dehydration.
Shear recovery and temperature stability of Ca2+ and Ag+ glycolipid fibrillar metallogels with unusual β-sheet-like domains
Authors: Poirier Alexandre , Le Griel Patrick , Bizien Thomas , Zinn Thomas , Pernot Petra , Baccile Niki
Published: December 2022

Low-molecular weight gelators (LMWGs) are small molecules (Mw < ∼1 kDa), which form self-assembled fibrillar network (SAFiN) hydrogels in water.
Self-assembly of alkyl–perylenebisdiimide–DNA amphiphiles and control of their morphology through cyclodextrin-based host–guest interaction
Authors: Gao Jinyu , Ma Jiahui , Deng Cheng , Yang Hai , Liu Simin , Zhao Zhiyong
Published: December 2022

DNA–PDIiol amphiphiles assemble into nanospheres, which turn into nanofibers by β-cyclodextrins-based host–guest interaction. The reversible conversion can be achieved, and both assemblies act as addressable templates to load functional molecules.
Prediction of total organic carbon and E. coli in rivers within the Milwaukee River basin using machine learning methods
Authors: Nafsin Nabila , Li Jin
Published: December 2022

Ensemble-hybrid ML models can explain and predict the variability in water quality parameters and living microorganism behavior in natural streams with satisfactory prediction accuracies based on specific physicochemical parameters.
Impact of fluoroquinolones and aminoglycosides on P. aeruginosa virulence factor production and cytotoxicity
Authors: Foulkes Daniel M. , McLean Keri , Sloniecka Marta , Rustidge Sophie , Byrne Dominic P. , Haneef Atikah S. , Winstanley Craig , Berry Neil , Fernig David G. , Kaye Stephen B.
Published: December 2022

The opportunistic pathogen Pseudomonas aeruginosa is one of leading causes of disability and mortality worldwide and the world health organisation has listed it with the highest priority for the need of new antimicrobial therapies. P. aeruginosa strains responsible for the poorest clinical outcomes express either ExoS or ExoU, which are injected into target host cells via the type III secretion system (T3SS). ExoS is a bifunctional cytotoxin that promotes intracellular survival of invasive P. aeruginosa by preventing targeting of the bacteria to acidified intracellular compartments. ExoU is a phospholipase which causes destruction of host cell plasma membranes, leading to acute tissue damage and bacterial dissemination. Fluoroquinolones are usually employed as a first line of therapy as they have been shown to be more active against P. aeruginosa in vitrothan other antimicrobial classes. Their overuse over the past decade, however, has resulted in the emergence of antibiotic resistance. In certain clinical situations, aminoglycosides have been shown to be more effective then fluoroquinolones, despite their reduced potency towards P. aeruginosa in vitro. In this study, we evaluated the effects of fluoroquinolones (moxifloxacin and ciprofloxacin) and aminoglycosides (tobramycin and gentamycin) on T3SS expression and toxicity, in corneal epithelial cell infection models. We discovered that tobramycin disrupted T3SS expression and reduced both ExoS and ExoU mediated cytotoxicity, protecting infected HCE-t cells at concentrations below the minimal inhibitory concentration (MIC). The fluoroquinolones moxifloxacin and ciprofloxacin, however, up-regulated the T3SS and did not inhibit and may have increased the cytotoxic effects of ExoS and ExoU.
Structural mass spectrometry approaches to understand multidrug efflux systems
Authors: Russell Lewis Benjamin , Lawrence Ryan , Hammerschmid Dietmar , Reading Eamonn
Published: December 2022

Multidrug efflux pumps are ubiquitous across both eukaryotes and prokaryotes, and have major implications in antimicrobial and multidrug resistance. They reside within cellular membranes and have proven difficult to study owing to their hydrophobic character and relationship with their compositionally complex lipid environment. Advances in structural mass spectrometry (MS) techniques have made it possible to study these systems to elucidate critical information on their structure–function relationships. For example, MS techniques can report on protein structural dynamics, stoichiometry, connectivity, solvent accessibility, and binding interactions with ligands, lipids, and other proteins. This information proving powerful when used in conjunction with complementary structural biology methods and molecular dynamics (MD) simulations. In the present review, aimed at those not experts in MS techniques, we report on the current uses of MS in studying multidrug efflux systems, practical considerations to consider, and the future direction of the field. In the first section, we highlight the importance of studying multidrug efflux proteins, and introduce a range of different MS techniques and explain what information they yield. In the second section, we review recent studies that have utilised MS techniques to study and characterise a range of different multidrug efflux systems.
Physics for health
Authors: Assmann Ralph W. , Cerullo Giulio , Ritort Felix
Published: December 2022

The fundamental research on the physics of elementary particles and nature's fundamental forces led to numerous spin-offs and has tremendously helped human well-being and health. This is the subject of Chapter 4 of the EPS Challenges for Physics.
Physics for understanding life
Authors: Ritort Felix , van Tiggelen Bart
Published: December 2022

“Living” matter distinguishes itself from “ordinary” matter by its capacity to grow, to reproduce or to multiply, and most of all by its autonomous functional activity, baptised “intelligence”, to sense its environment to adapt or to survive. This last feature truly is one of the miracles of life. Find out more in Chapter 3 of the EPS Grand Challenges.
Psychosoziale Versorgung und Gesundheit in der DDR – aktuelle
Ergebnisse und Analysen
Authors: Strauß Bernhard , Brähler Elmar
Published: December 2022

Im Jahr 2019 begann das Bundesministerium für Bildung und Forschung (BMBF)
insgesamt 14 Verbundprojekte zu fördern, die das Ziel hatten, die
„strukturelle Verankerung der DDR-Forschung der Deutschen Hochschul- und
Forschungslandschaft“ zu stärken. Die Autoren haben in einem
Editorial dieser Zeitschrift über die Intensivierung der Forschung zur
DDR-Vergangenheit 30 Jahre nach dem Mauerfall berichtet und darauf hingewiesen, dass
unter den 14 Verbundprojekten eine ganze Reihe ist, die sich mit psychosozialen
Aspekten befassen 1.
Denitrosation of Aryl-N-nitrosamines by a Transnitrosation Strategy Using Ethanethiol and p-Toluenesulfonic Acid under Mild Reaction Conditions
Authors: Kandasamy Jeyakumar , Kanaujiya Vimlesh Kumar , Tiwari Varsha , Baranwal Siddharth , Srivastava Vandana
Published: December 2022

A convenient and practical route is reported for the denitrosation of aryl-N-nitrosamines under mild reaction conditions using ethanethiol and PTSA. The reactions proceeds at room temperature and the amines are obtained in good to excellent yields. Many functional groups that are susceptible to reduction were stable during the denitrosation. A broad substrate scope and easy operations are salient features of this method.
Experimental and numerical study of the effect of the channel curvature angle on inertial focusing in curvilinear microchannels
Authors: Ince D. , Turhan H. , Cadirci S. , Trabzon L.
Published: December 2022

Passive cell separation methods have attracted great attention due to their superiority over the other methods stemming from their easy fabrication, precise manipulation, cost-effectiveness, sensitivity, and simplicity. The fluid inertia in these methods is the main factor that is affected by the channel design; thus, the channel design parameters should be chosen accordingly. Even though all channel design parameters are well addressed in inertial microfluidics, the curvature angle of the channel has not yet been extensively studied. In this study, three different curvilinear microchannels with curvature angles of 180°, 210°, and 270° were designed, keeping all other remaining parameters the same. The focusing ability of the fluorescent polystyrene microparticles with diameters of 1.1, 3.3, and 9.9 μm was investigated both experimentally and numerically to understand focusing efficiency affected by the curvature angle of the microchannel. The first set of experiments was to determine the effect of the channel curvature and indicated the favorable design as channel C, which showed focusing qualities of 0.85 and 0.92 for 9.9 μm particles at volumetric concentrations of 2% and 5%, respectively. The remaining set of experiments and CFD simulations were conducted to observe the interaction of 3.3 and 9.9 μm particles and reveal the distortion of the focusing line and particulate phase contours for 9.9 μm particles at the flow rates between 0.3 and 0.7 ml/min, which was further confirmed by enriched mixtures containing 1.1, 3.3, and 9.9 μm particles. The study showed that mixtures comprising low diameter particles could not satisfy the focusing criteria, which emphasized the importance of an appropriate particle size and concentration for a single focus line. On the other hand, it was shown that geometric features of the microchannel such as the hydraulic diameter and the curvature angle together with the particle size determine the focusing quality both experimentally and numerically. To sum up, the increment of the channel curvature angle is a determining factor for particle focusing, and a single focusing line was observed on the particles maintaining the focusing criteria even in many particle conditions. While the focusing quality of the particles was reduced by multi-particle interactions, they were proven to be separable achieving the appropriate concentration ratio.
Spectral data for parabolic projective symplectic/orthogonal Higgs bundles
Authors: Roy Sumit
Published: December 2022

Hitchin [Duke Math. J. 54(1), 91–114 (1987)] introduced a proper morphism from the moduli space of stable G-Higgs bundles [G=GL(n,C),Sp(2m,C) and SO(n,C)] over a curve to a vector space of invariant polynomials, and he described the generic fibers of that morphism. In this paper, we first describe the generic Hitchin fibers for the moduli space of stable parabolic projective symplectic/orthogonal Higgs bundles without fixing the determinant. We also describe the generic fibers when the determinant is trivial.
Single-shot spatial light interference microscopy by demultiplexing based on polarization gratings
Authors: Wang Yi , Zhong Liyun , Xing Xinyue , Lu Xiaoxu , Pendrini Giancarlo , Chen Qiujia , Tao Qiao , Qin Yuwen
Published: December 2022

Off-axis interferometric modules built on an ordinary bright field microscope make it possible to achieve single-shot quantitative phase imaging (QPI) by adding sufficient spatial carrier into the interferograms. However, compared with its on-axis counterparts, imaging configurations for off-axis interferometric modules have several disadvantages regarding optical aberration, stability, and space-bandwidth utilization of the lenses system. Herein, by demultiplexing technology based on polarization gratings, we propose a single-shot spatial light interference microscopy named as polarization-multiplexing light interference microscopy (PLIM) with on-axis imaging configuration to realize single-shot QPI. Although the imaging system is on-axis, the PLIM system still can generate sufficient spatial carrier, so we can adjust the orientation and absolute value of the spatial carrier independently of the magnification ratio of the imaging system. The experimental results prove that the PLIM system has better temporal phase stability compared with conventional grating-based QPI technologies and is suitable for high resolution QPI.
Ultrasonic near-field based acoustic tweezers for the extraction and manipulation of hydrocarbon droplets
Authors: Lirette Robert , Mobley Joel
Published: December 2022

Radiation pressure from acoustic and electromagnetic fields can generate forces sufficient to trap and manipulate objects. In most cases, the objects are pre-existing, but it is also possible for the forces to essentially create the target objects. Recently, we reported on the ability of high power ultrasound to extract and controllably manipulate droplets from the organic solvent CCl4 using a near-field type of acoustic tweezers [Lirette et al., Phys. Rev. Appl. 12, 061001 (2019)]. The extraction used a fraxicon lens which produced trapping zones in the near-field. With the addition of extraction to trapping and manipulation, the process can be considered a form of contact-free pipetting. In the present work, we demonstrate the capability of this system to co-axially extract two droplets of SAE30ND motor oil (between 70%–80% liquid hydrocarbon) at a water interface against a positive radiation pressure. In the experiments with oil, several differences in the process have been observed relative to the CCl4 study: a second near-field trapping zone is revealed; the surface deformation is small and opposite to the direction of extraction; the extraction and trapping forces are sufficient to overcome both interfacial tension and buoyancy; and the target liquid has distinct physical properties, such as density, viscosity, and acoustic impedance. Non-contact and label-free extraction of oil droplets remotely in an aqueous environment could have significant biological and environmental applications. Finding that the process works with two distinct liquids demonstrates its more general applicability and broadens its potential uses.