bluuebunny/crossref_metadata_2025_split huggingface dataset:
Widely Used and Fast De Novo Drug Design by a Protein Sequence-Based Reinforcement Learning Model
Authors: Li Yaqin , Li Lingli , Xu Yongjin , Yu Yi 
Published: August 2022

AbstractDe novo molecular design has facilitated the exploration of large chemical space to accelerate drug discovery. Structure-based de novo method can overcome the data scarcity of active ligands by incorporating drug-target interaction into deep generative architectures. However, these strategies are bottlenecked by the small fraction of experimentally determined protein or complex structures. In addition, the cost of the molecular generation is computationally expensive due to 3D representations of both molecule and protein. Here, we demonstrate a widely used and fast protein sequence-based reinforcement learning (RL) model for drug discovery. In the generative model, one of the reward components, a binding affinity predictor, is based on 1D protein sequence and molecular SMILES. As a proof of concept, the RL model was utilized to design molecules for four targets. The generated compounds showed bioactivities by the validation of both QSAR and molecular docking with experimental 3D binding pockets. We also found that the performance of generated molecules depends on the selection of data source training for the binding predictor. Furthermore, drug design for a kinase without any experimental structure, CDK20, was studied. By only 1D protein sequence as input, the generated novel compounds showed favorable binding affinity based on the AlphaFold predicted structure.
A premotor microcircuit to generate behavior-specific muscle activation patterns in Drosophila larvae
Authors: Huang Yuhan , Zarin Aref A 
Published: August 2022

AbstractAnimals can use a common set of muscles and motor neurons (MNs) to generate diverse locomotor behaviors, but how this is accomplished remains poorly understood. Previously, we characterized the muscle activity patterns for Drosophila larval forward and backward locomotion and found that ventral oblique (VO) muscles become active earlier in backward than in forward locomotion (Zarin et al. 2019). Here, we describe how premotor circuits generate differential activation timing of VO muscles. We identify inhibitory (A06c) and excitatory (A27h) premotor neurons (PMNs) with the greatest number of synapses with VO MNs. Strikingly, A06c is a bi-modal PMN that fires before and after VO MNs in forward locomotion but fires only after MNs in backward locomotion. Further, A27h is a forward-dedicated PMN active only in forward locomotion. These two PMNs interconnect with another forward-dedicated excitatory PMN (A18b3), to create feedforward inhibitory microcircuits that define the activity window for VO MNs/muscles, producing precise VO muscle patterns underlying forward locomotion. Silencing A06c, A27h, or A18b3 PMN results in premature VO muscle activation in forward locomotion, resembling early VO activation in backward locomotion. Our results identify PMN micro-circuits that produce unique MN/muscle activity patterns to create behavior-specific motor output.
CausalCell: applying causal discovery to single-cell analyses
Authors: Wen Yujian , Huang Jielong , Zhang Hai , Guo Shuhui , Elyahu Yehezqel , Monsonego Alon , Ding Yanqing , Zhu Hao 
Published: August 2022

ABSTRACTCorrelation between objects does not answer many scientific questions because of the lack of causal but the excess of spurious information and is prone to happen by coincidence. Causal discovery infers causal relationships from data upon conditional independence test between objects without prior assumptions (e.g., variables have linear relationships and data follow the Gaussian distribution). Causal interactions within and between cells provide valuable information for investigating gene regulation, identifying diagnostic and therapeutic targets, and designing experimental and clinical studies. The rapid increase of single-cell data permits inferring causal interactions in many cell types. However, because no algorithms have been designed for handling abundant variables and few algorithms have been evaluated using real data, how to apply causal discovery to single-cell data remains a challenge. We report a pipeline and web server (http://www.gaemons.net/causalcell/causalDiscovery/) for accurately and conveniently performing causal discovery. The pipeline has been developed upon the benchmarking of 18 algorithms and the analyses of multiple datasets. Our applications indicate that only complicated algorithms can generate satisfactorily reliable results. Critical issues are discussed, and tips for best practices are provided.
Algorithmic accountability: robodebt and the making of welfare cheats
Authors: Nikidehaghani Mona , Andrew Jane , Cortese Corinne 
Published: August 2022

PurposeThe paper aims to investigate how accounting techniques, when embedded within data-driven public-sector management systems, mask and intensify the neoliberal ideological commitments of powerful state and corporate actors. The authors explore the role of accounting in the operationalisation of “instrumentarian power” (Zuboff, 2019) – a new form of power that mobilises ubiquitous digital instrumentation to ensure that algorithmic architectures can tune, herd and modify behaviour.Design/methodology/approachThe authors employ a qualitative archival analysis of publicly available data related to the automation of welfare-policing systems to explore the role of accounting in advancing instrumentarian power.FindingsIn exploring the automation of Australia's welfare debt recovery system (Robodebt), this paper examines a new algorithmic accountability that has emerged at the interface of government, technology and accounting. The authors show that accounting supports both the rise of instrumentarian power and the intensification of neoliberal ideals when buried within algorithms. In focusing on Robodebt, the authors show how the algorithmic reconfiguration of accountability within the welfare system intensified the inequalities that welfare recipients experienced. Furthermore, the authors show that, despite its apparent failure, it worked to modify welfare recipients' behaviour to align with the neoliberal ideals of “self-management” and “individual responsibility”.Originality/valueThis paper addresses Agostino, Saliterer and Steccolini's (2021) call to investigate the relationship between accounting, digital innovations and the lived experience of vulnerable people. To anchor this, the authors show how algorithms work to mask the accounting assumptions that underpin them and assert that this, in turn, recasts accountability relationships. When accounting is embedded in algorithms, the ideological potency of calculations can be obscured, and when applied within technologies that affect vulnerable people, they can intensify already substantial inequalities.
An exploratory study of the experiencescape dimensions and customer revisit intentions for specialty urban coffee shops
Authors: Kwame Opoku Emmanuel , Tham Aaron , Morrison Alastair M. , Wang Mei-jung Sebrina 
Published: August 2022

PurposeThe main aim of this research was to explore specialty coffee experience dimensions and what drives revisit intentions through experiencescapes. The theoretical framework on experience co-creation in food and wine consumption by Carvalho et al. (2021) was employed to explore the dimensions of specialty coffee shop experiences and specialty coffee consumer revisit intentions.Design/methodology/approachUsing the interpretivist epistemology, this research explored these factors from the perspectives of customers, coffee shop baristas, and managers and owners to better understand consumer behaviour in the context of urban coffee shops. In-depth interviews were employed to collect data to obtain first-hand, emic perspectives.FindingsThe notion of specialty coffee and its experiencescape were examined in the context of a region of tea-dominated landscapes. This research highlighted the significance of baristas as agents of coffee connoisseurship, being able to introduce the beans and the art of coffee making to customers in active ways. The findings amplified that olfactory encounters triggering a myriad of senses are crucial to the specialty coffee experiencescape.Originality/valueThis is among the first studies to explore the driving factors for customer visits and revisit intentions to urban coffee shops. The findings point to greater sophistication and engagement in-person and online for urban coffee shops. More importantly, the olfactory encounters differed for solo and group customer.
Be(e)ha(i)viour(e): assessment of honey consumption in Europe
Authors: Kleisiari Christina , Kleftodimos Georgios , Vlontzos George 
Published: August 2022

PurposeHoney is a product that has been consumed for thousands of years owing to honey's nutritional value and unique properties. This survey aimed to assess factors affecting consumer behaviour for honey in countries of the Balkans and Western Europe, on a comparative basis.Design/methodology/approachThe high importance of honey consumption along with findings from previous surveys on consumer behaviour are included in the introduction chapter. Based on these, and focussing on the fundamental consumer behaviour theories (stimulus-organism-response (SOR) model, theory of planned behaviour (TPB), and health belief model (HBM)), a questionnaire was designed and answered by 2,113 individuals from the Balkans and Western Europe, of which 2,088 were honey consumers. Principal component analysis (PCA) analysis was used to interpret the results.FindingsAccording to the analysis, both Western Europeans and Balkans consume honey weekly, whilst only a few consume honey daily. A crucial difference between the two samples is that Western Europeans consider honey to be an expensive product, whilst Balkans considers honey's price acceptable. In general, men consume more honey than women, and households with children purchase honey more often and in more significant quantities. In conclusion, the main reason affecting European honey consumption is the health impact, which is related to therapeutic properties and high nutritional value of honey.Originality/valuePCA results clarified the factors affecting honey consumption, whilst at the same time, consumer profiles of Balkan and Western European consumers were outlined and compared with each other, outlining a more detailed description of honey consumption in Europe.
Governing systemic and cascading disaster risk in Indonesia: where do we stand and future outlook
Authors: Triyanti Annisa , Surtiari Gusti Ayu Ketut , Lassa Jonatan , Rafliana Irina , Hanifa Nuraini Rahma , Muhidin Mohamad Isnaeni , Djalante Riyanti 
Published: August 2022

PurposeThis paper aims to identify key factors for a contextualised Systemic Risk Governance (SRG) framework and subsequently explore how systemic risks can be managed and how local institutional mechanisms can be tweaked to deal with the complex Indonesian risk landscape.Design/methodology/approachUsing a case study from Palu triple-disasters in Central Sulawesi, Indonesia, the authors demonstrate how inland earthquakes in 2018 created cascading secondary hazards, namely tsunamis, liquefactions and landslides, caused unprecedented disasters for the communities and the nation. A qualitative analysis was conducted using the data collected through a long-term observation since 2002.FindingsThe authors argue that Indonesia has yet to incorporate an SRG approach in its responses to the Palu triple-disasters. Political will is required to adopt more appropriate risk governance modes that promote the systemic risk paradigm. Change needs to occur incrementally through hybrid governance arrangements ranging from formal/informal methods to self- and horizontal and vertical modes of governance deemed more realistic and feasible. The authors recommend that this be done by focusing on productive transition and local transformation.Originality/valueThere is growing awareness and recognition of the importance of systemic and cascading risks in disaster risk studies. However, there are still gaps between research, policy and practice. The current progress of disaster risk governance is not sufficient to achieve the Sendai Framework for Disaster Risk Reduction (2015–2030) unless there is an effective governing system in place at the local level that allow actors and institutions to simultaneously manage the interplays of multi-hazards, multi-temporal, multi-dimensions of vulnerabilities and residual risks. This paper contributes to these knowledge gaps.
Human centred lean – introducing the people value stream
Authors: Hines Peter 
Published: August 2022

PurposeThe focus of lean has increasingly moved from a tools-based to a systems-based approach with particular emphasis on people. However, a conceptual framework for this is lacking. The people value stream concept provides a starting point for further discussion, research and practical application in this area.Design/methodology/approachIn this conceptual paper, the author draws on their extensive experience with lean through 30 years of researching, leading and consulting in lean transformations.FindingsThe people value stream concept is presented together with a series of theoretical, practical and social implications for its application. These include: a rethinking of the role of executives in lean organisations; the importance of people and their experience of work; how the issue of wasted human potential might be addressed; how lean can further evolve; how, in addition to products, people can be made the focus in lean; and how pull and flow can be applied to the people value stream, including what competencies, learning and development, behaviours, accountability, social support and mental and physical wellbeing, are required or should be provided to employees throughout their careers.Originality/valueThis paper widens the existing discussion of people within lean. To the best of the author’s knowledge, for the first time in an academic paper, it discusses this within a lean context by proposing a conceptual people value stream model.
Libraries in contemporary science fiction novels: uncertain futures or embedded in the fabric of society?
Authors: Duxfield Amy , Liew Chern Li 
Published: August 2022

PurposeThis study aims to examine the imagining of libraries and the depiction of library services in contemporary science fiction novels. Analyses of libraries in contemporary science fiction may reveal expectations of libraries and the roles they play in future societies. These may, in turn, be used by the library profession to innovate and to discover opportunities to design and improve library services that meet the expectations of library users now and in the future.Design/methodology/approachThis research applied a content analysis approach to examine references to libraries in a purposeful sample of science fiction novels published between 2009 and 2019. The sample consists of 29 novels selected from the 2010–2020 winners of the Hugo Award for Best Novel, The Nebula Award for Best Novel, the Locus Award for Best Science Fiction Novel, The Philip K Dick Award and the Arthur C Clarke Award.FindingsThis research finds that libraries are a common feature within contemporary science fiction novels, primarily as part of the background setting of the narratives. Libraries are particularly common in peri-apocalyptic novels, often as “reinvented” libraries. This research identifies considerable differences in the way libraries and information access and use are depicted and documented in science fiction worlds of plenty, compared to those of scarcity. Other key themes discussed include freedom of access to information, and the supposedly common negative stereotyping of libraries.Originality/valueExisting literature indicates anxiety about the future of libraries which the findings of this research do not support. The insights gained suggested instead, the emergence of an image of libraries as being embedded in the fabric of societies. This indicates the expectation of the place and role of libraries in contemporary societies. Libraries and their services must be adeptly placed and woven into the many facets of the societies they serve.
Working capital, cash flow and profitability of intensive MSMEs: evidence from Ecuador
Authors: Briones Oscar F. , Camino-Mogro Segundo M. , Navas Veronica J. 
Published: August 2022

Purpose
The purpose of this research is to examine Micro-, small- and medium-sized enterprises (MSMEs). Which have limited access to financial resources from financial intermediaries. Thus, resource allocation is a primary concern for them.

Design/methodology/approach
This research studies the determinants of cash conversion cycle components and cash flow of MSMEs operating in Ecuador. This study examined a robust sample of 19,680 firms from 2000 to 2020, using the two-step generalized methods of moments to control for endogeneity and multicollinearity of independent variables issues.

Findings
The sample was divided into working capital intensive and fixed capital intensive firms. It was found that in every segment (micro-, small- and medium-sized), the majority of firms are working capital intensive and their average return is higher. This implies that small business owners assign the majority of their resources to current assets, which thus far have enabled them to achieve higher profitability.

Originality/value
Research investigated Ecuadorian MSMEs in a dollarized developing environment. Scrutinizing working capital intensive vs fixed capital intensive.
How start-ups in emerging economies embrace circular business models and contribute towards a circular economy
Authors: Mehrotra Sonia , Jaladi Santosh Rupa 
Published: August 2022

Purpose
The purpose of this paper is to investigate the practices that start-ups in emerging economies can implement to design circular economy business models and how they can create and capture value from a circular economy business model.

Design/methodology/approach
The paper adopts a qualitative case method approach with semi-structured interviews with start-up founder promoters, its employees, its beneficiaries and its customers, conducted in two local Indian start-ups engaged in the manufacture of products and providing services that promote adoption of circular economy principles.

Findings
Analysis of the two business models reveals common patterns in building value proposition. The findings suggest that start-up ventures adopt an iterative approach to produce reusable and interlinked products and co-create with customers, vendors and local communities. They adopt mechanisms that can create, deliver and capture value while maintaining economic viability, and thus contribute towards micro- and macro-level benefits.

Research limitations/implications
This study maximizes the depth of the phenomenon under investigation by leveraging case study methodology. Future research opportunities could be found in quantitative studies to increase the generalizability of the findings of this paper.

Practical implications
The paper presents a theoretical model linking the circular business model design and deployment mechanisms that can be used by start-up entrepreneurs desirous of embracing circular economy principles and thus contribute towards environmental, economic and developmental goals in emerging economies.

Social implications
To accelerate the transition of adoption of circularity principles in emerging markets, start-up ventures could adopt circular business models that contribute towards achieving positive behavioural change. This can be achieved by integrating with different stakeholders in the value network such that they play a vital role in the process of value creation and delivery and benefit from the value captured.

Originality/value
An interdisciplinary approach that integrates the research streams of circular economy, and business model design has been pursued to identify the design and deployment mechanisms adopted in the circular business models of start-ups in real-world emerging economies’ context.
Real‐world data on the use of secukinumab and acitretin in pediatric generalized pustular psoriasis
Authors: Miao Chaoyang , Chen Yunliu , Wang Zhaoyang , Xiang Xin , Liu Ying , Xu Zigang 
Published: August 2022

AbstractTo evaluate the outcomes of secukinumab and acitretin use in children with generalized pustular psoriasis (GPP), we compared the efficacy and adverse events of secukinumab in 20 children and acitretin in 16 children with GPP from January 1, 2019, to January 30, 2022. Among the 20 patients treated with secukinumab, the average time for pustules to fade, temperature to normalize, and C‐reactive protein (CRP) to normalize was 3.83, 2.46, and 3.91 days, respectively. All patients recovered (Japanese Dermatological Association severity index score: 0/1) in 3 weeks. The adverse events were abnormal liver enzyme (10%), atopic dermatitis–like lesions (10%), herpes simplex (5%), and neutropenia (10%). For the patients treated with acitretin, the average time for pustules to fade, temperature to normalize, and CRP to normalize was 6, 6.14, and 8.73 days, respectively. The adverse events included mucocutaneous dryness (75%), dyslipidemia (37.5%), and abnormal liver enzyme (25%). These findings demonstrate that secukinumab has more favorable outcomes than acitretin, and secukinumab was well tolerated by the pediatric patients with GPP.
Hyperthermophilic endospores germinate and metabolize organic carbon in sediments heated to 80°C
Authors: Bell Emma , Rattray Jayne E. , Sloan Kathryn , Sherry Angela , Pilloni Giovanni , Hubert Casey R. J. 
Published: August 2022

AbstractCold surface sediments host a seedbank of functionally diverse thermophilic bacteria. These thermophiles are present as endospores, which are widely dispersed in aquatic environments. Here, we investigated the functional potential of endospore populations in cold surface sediments heated to 80°C. Microbial production of acetate was observed at 80°C and could be enhanced by supplying additional organic carbon substrates. Comparison of 16S rRNA gene amplicon libraries from 80°C enrichments to sediments heated to lower temperatures (50–70°C) showed that temperature selects for distinct populations of endospore‐forming bacteria. Whereas sulfate‐reducing thermophiles were enriched in 50–70°C incubations, 80°C exceeds their thermal tolerance and selects for hyperthermophilic organotrophic bacteria that are similarly detected in amplicon libraries from sediments heated to 90°C. Genome‐resolved metagenomics revealed novel carbon cycling members of Symbiobacteriales, Thermosediminibacteraceae, Thermanaeromonas and Calditerricola with the genomic potential for the degradation of carbohydrates, sugars, amino acids and nucleotides. Endospores of thermophilic bacteria are deposited on seabed sediments worldwide where they remain dormant as they are buried in the accumulating sediments. Our results suggest that endospore populations could be activated by temperature increases encountered during burial and show the potential for organotrophic metabolic activity contributing to acetate generation in deep hot sediments.