bluuebunny/crossref_metadata_2025 huggingface dataset:
Association between sagittal alignment and loads at the adjacent segment in the fused spine: a combined clinical and musculoskeletal modeling study of 205 patients with adult spinal deformity
Authors: Ignasiak Dominika , Behm Pascal , Mannion Anne F. , Galbusera Fabio , Kleinstück Frank , Fekete Tamás F. , Haschtmann Daniel , Jeszenszky Dezsö , Zimmermann Laura , Richner-Wunderlin Sarah , Vila-Casademunt Alba , Pellisé Ferran , Obeid Ibrahim , Pizones Javier , Sánchez Pérez-Grueso Francisco J. , Karaman Muhammed Ilkay , Alanay Ahmet , Yilgor Çaglar , Ferguson Stephen J. , Loibl Markus ,   ESSG European Spine Study Group
Published: December 2022

Purpose

Sagittal malalignment is a risk factor for mechanical complications after surgery for adult spinal deformity (ASD). Spinal loads, modulated by sagittal alignment, may explain this relationship. The aims of this study were to investigate the relationships between: (1) postoperative changes in loads at the proximal segment and realignment, and (2) absolute postoperative loads and postoperative alignment measures.

Methods

A previously validated musculoskeletal model of the whole spine was applied to study a clinical sample of 205 patients with ASD. Based on clinical and radiographic data, pre-and postoperative patient-specific alignments were simulated to predict loads at the proximal segment adjacent to the spinal fusion.

Results

Weak-to-moderate associations were found between pre-to-postop changes in lumbar lordosis, LL (r =  − 0.23, r =  − 0.43; p < 0.001), global tilt, GT (r = 0.26, r = 0.38; p < 0.001) and the Global Alignment and Proportion score, GAP (r = 0.26, r = 0.37; p < 0.001), and changes in compressive and shear forces at the proximal segment. GAP score parameters, thoracic kyphosis measurements and the slope of upper instrumented vertebra were associated with changes in shear. In patients with T10-pelvis fusion, moderate-to-strong associations were found between postoperative sagittal alignment measures and compressive and shear loads, with GT showing the strongest correlations (r = 0.75, r = 0.73, p < 0.001).

Conclusions

Spinal loads were estimated for patient-specific full spinal alignment profiles in a large cohort of patients with ASD pre-and postoperatively. Loads on the proximal segments were greater in association with sagittal malalignment and malorientation of proximal vertebra. Future work should explore whether they provide a causative mechanism explaining the associated risk of proximal junction complications.
Expression of microRNAs in patients with gestational diabetes mellitus: a systematic review and meta-analysis
Authors: Li Jianhua , Gan Bei , Lu Lin , Chen Lihong , Yan Jianying
Published: December 2022

Background

MicroRNAs (miRNA) are noncoding RNAs that play a central role in governing various physiological and pathological processes. There are few studies on miRNA involvement in gestational diabetes mellitus (GDM). In this study, we performed a meta-analysis of the miRNA expression profiling from GDM patients.

Methods

Guided by the Preferred Reporting Items for Systematic Review and Meta-Analysis Protocols, we performed a systematic search of the PubMed, Cochrane Library, and EMBASE databases from inception to December 20, 2021, to retrieve the original research studies. All the relevant data were retrieved, analyzed, and summarized.

Results

Six studies (252 GDM cases and 309 controls) were included and analyzed. The six studies reported the expressions of 21 miRNAs in GDM cases. Of the 21 miRNAs, 12 miRNAs were found to be upregulated, and two were downregulated. The top three most consistently reported upregulated miRNAs were miR-16-5p (mean differences of fold change are 1.25, 95% CI = 0.04–2.46, P = 0.040), miR-19a-3p (mean differences of fold change are 2.90, 95% CI = 1.45–4.35, P = 0.001), and miR-19b-3p (mean differences of fold change are 3.10, 95% CI = 0.94–5.25, P = 0.005). miR-155-5p and miR-21-3p were found to be downregulated.

Conclusions

The results indicate that several miRNAs may be used as markers for diabetes gestational diabetes mellitus. In the future, more studies are needed to validate the findings of our study.
Characterization of thermostable serine hydroxymethyltransferase for β-hydroxy amino acids synthesis
Authors: Ma’ruf Ilma Fauziah , Restiawaty Elvi , Syihab Syifa Fakhomah , Honda Kohsuke , Akhmaloka
Published: December 2022

β-hydroxy amino acids, such as serine, threonine, and phenylserine, are important compounds for medical purposes. To date, there has been only limited exploration of thermostable serine hydroxylmethyltransferase (SHMT) for the synthesis of these amino acids, despite the great potential that thermostable enzymes may offer for commercial use due to their high stability and catalytic efficiencies. ITBSHMT_1 (ITB serine hydroxylmethyltransferase clone number 1) from thermophilic and methanol-tolerant bacteria Pseudoxanthomonas taiwanensis AL17 was successfully cloned. Biocomputational analysis revealed that ITBSHMT_1 contains Pyridoxal-3′-phosphate and tetrahydrofolatebinding residues. Structural comparisons show that ITBSHMT_1 has 5 additional residues VSRQG on loop near PLP-binding site as novel structural feature which distinguish this enzyme with other characterized SHMTs. In silico mutation revealed that the fragment might have very essential role in maintaining of PLP binding on structure of ITBSHMT_1. Recombinant protein was produced in Escherichia coli Rosetta 2(DE3) in soluble form and purified using NiNTA affinity chromatography. The purified protein demonstrated the best activity at 80 °C and pH 7.5 based on the retro aldol cleavage of phenylserine. Activity decreased significantly in the presence of 3 mM transition metal ions but increased in the presence of 30 mM β-mercaptoethanol. ITBSHMT_1 demonstrated Vmax, Km, Kcat, and Kcat/Km at 242 U/mg, 23.26 mM, 186/s, and 8/(mM.s), respectively. The aldol condensation reaction showed the enzyme’s best activity at 80 °C for serine, threonine, or phenylserine, with serine synthesis showing the highest specific activity. Biocomputational analysis revealed that high intramolecular interaction within the 3D structure of ITBSHMT_1 might be correlated with the enzyme’s high thermal stability. The above data suggest that ITBSHMT_1 is a potential and novel enzyme for the production of various β-hydroxy amino acids.
Does behavioural parent training reduce internalising symptoms (or not) among children with externalising problems? Systematic review and meta-analysis
Authors: Bloss Christy , Brown Sophie , Sawrikar Vilas
Published: December 2022

Behaviour parent training (BPT) is known to effectively reduce child externalising problems. However, evidence for BPT to have secondary benefits for reducing internalising symptoms remains unclear. To address this, electronic databases (PsycINFO, MEDLINE, EMBASE, CINAHL, and SCOPUS) were systematically searched for studies examining internalising outcomes from BPT among children aged 2–12 years with clinically elevated externalizing problems. Outcomes for internalising problems following BPT were analysed by meta-analysis. Of 9105 studies identified, 24 studies met the eligibility criteria. Results from meta-analysis demonstrated a significant small treatment effect size (g = − 0.41) for reducing internalising symptoms immediately after treatment. Studies showed moderate heterogeneity (I2 = 44%). Moderation analyses indicated that the overall treatment effect was robust against variations in treatment and study design characteristics. However, a review of individual study methods indicate that these results are limited by significant heterogeneity and limitations in clinical assessment. Overall, the results suggest that BPT programmes for reducing externalising problems have the potential to improve internalising outcomes, but that there is limited information to determine the reliability of these effects, highlighting the need for further investigation.
Cost-aware sequential diagnostics
Authors: Ganter Bernhard
Published: December 2022

A simple search problem is studied in which a binary n-tuple is to be found in a list, by sequential bit comparisons with cost. The problem can be solved (for small n) using dynamic programming. We show how the “bottom up” part of the algorithm can be organized by means of Formal Concept Analysis.
SleepXAI: An explainable deep learning approach for multi-class sleep stage identification
Authors: Dutt Micheal , Redhu Surender , Goodwin Morten , Omlin Christian W.
Published: December 2022

Extensive research has been conducted on the automatic classification of sleep stages utilizing deep neural networks and other neurophysiological markers. However, for sleep specialists to employ models as an assistive solution, it is necessary to comprehend how the models arrive at a particular outcome, necessitating the explainability of these models. This work proposes an explainable unified CNN-CRF approach (SleepXAI) for multi-class sleep stage classification designed explicitly for univariate time-series signals using modified gradient-weighted class activation mapping (Grad-CAM). The proposed approach significantly increases the overall accuracy of sleep stage classification while demonstrating the explainability of the multi-class labeling of univariate EEG signals, highlighting the parts of the signals emphasized most in predicting sleep stages. We extensively evaluated our approach to the sleep-EDF dataset, and it demonstrates the highest overall accuracy of 86.8% in identifying five sleep stage classes. More importantly, we achieved the highest accuracy when classifying the crucial sleep stage N1 with the lowest number of instances, outperforming the state-of-the-art machine learning approaches by 16.3%. These results motivate us to adopt the proposed approach in clinical practice as an aid to sleep experts.
Degree of egg-taking by humans determines the fate of maleo (Macrocephalon maleo) nesting grounds across Sulawesi
Authors: Summers Marcy , Geary Matthew , Djuni Nurlin , Kresno Pandji A. , Laya Agustian , Sawuwu Stallin , Bawotong Adrianus , Abas Wiranto , Tan Oga Vivi Megayanti , Nur Ahmad Muh. , Isfandri Moh. , Priest Galen V. , McGowan Philip J. K. , Tasirin Johny S. , Collar Nigel J.
Published: December 2022

The maleo (Macrocephalon maleo) of Sulawesi, Indonesia, is culturally iconic and Critically Endangered, but the causes of its decline have never been systematically analyzed nor its nesting grounds comprehensively surveyed. We visited 122 previously known and 58 previously unrecorded sites, collecting data and interviewing local people at each site. We used ordinal logistic regression to fit models with combinations of 18 different predation, habitat, and nesting ground variables to determine the strongest predictors of nesting ground success, as represented by maleo numbers. At least 56% of known nesting grounds are now inactive (abandoned), and 63% of remaining active sites host ≤ 2 pairs/day at peak season. Egg-taking by humans is the single biggest driver of maleo decline. Protecting eggs in situ predicts higher maleo numbers than protecting eggs through hatchery methods. After egg-taking, quality (not length) of the travel corridor connecting nesting ground to primary forest best predicts nesting ground success. Being inside a federally protected area is not a primary driver of success, and does not ensure persistence: 28% of federally protected nesting grounds have become inactive. Local conservation efforts protected nesting grounds 2‒3 times better than federal protection. We update the methodology for assessing nesting ground status, and recommend five measures for maleo conservation, the foremost being to protect nesting grounds from egg-taking by humans at all remaining active sites.
Factors associated with ductal carcinoma in situ (DCIS) treatment patterns and patient-reported outcomes across a large integrated health network
Authors: Kim Hayeon , Wang Hong , Demanelis Kathryn , Clump David A. , Vargo John A. , Keller Andrew , Diego Mia , Gorantla Vikram , Smith Kenneth J. , Rosenzweig Margaret Q.
Published: December 2022

Purpose

To examine associations between ductal carcinoma in situ (DCIS) patients’ characteristics, treating locations and DCIS treatments received and to pilot assessing quality-of-life (QoL) values among DCIS patients with diverse backgrounds.

Methods

We performed a retrospective tumor registry review of all patients diagnosed and treated with DCIS from 2018 to 2019 in the UPMC-integrated network throughout central and western Pennsylvania. Demographics, clinical information, and administered treatments were compiled from tumor registry records. We categorized contextual factors such as different hospital setting (academic vs. community), socioeconomic status based on the neighborhood deprivation index (NDI) as well as age and race. QoL survey was administered to DCIS patients with diverse backgrounds via QoL questionnaire breast cancer module 23 and qualitative assessment questions.

Results

A total of 912 patients were reviewed. There were no treatment differences noted for age, race, or NDI. Mastectomy rate was higher in academic sites than community sites (29 vs. 20.4%; p = 0.0045), while hormone therapy (HT) utilization rate was higher in community sites (74 vs. 62%; p = 0.0012). QoL survey response rate was 32%. Only HT side effects negatively affected in QoL scores and there was no significant difference in QoL domains and decision-making process between races, age, NDI, treatment groups, and treatment locations.

Conclusion

Our integrated health network did not show chronically noted disparities arising from social determinates of health for DCIS treatments by implementing clinical pathways and system-wide peer review. Also, we demonstrated feasibility in collecting QoL for DCIS women with diverse backgrounds and different socioeconomic statuses.
Right and Wrong: Assessing Scalar Consequentialism
Authors: McElwee Brian
Published: December 2022

Demoralising ethical theory involves eschewing the deontic categories of moral obligation, moral permissibility, and moral impermissibility from our ethical thought. In this paper, I evaluate the case made in Alastair Norcross’s recent book, Morality By Degrees (2020), for a consequentialist version of such demoralisation. Norcross defends scalar consequentialism, a radical variant of consequentialism which restricts fundamental normative verdicts to a scalar ranking of available actions, ordered according to the goodness of the consequences they produce. Following an introductory Sect. 1, I assess the positive case for scalar consequentialism in Sect. 2, concluding that no strong case has been made for the view. In Sect. 3, I assess the case against the view, concluding that while scalar consequentialism may be able to avoid the action-guidingness objection, it falls foul of the force objection. In Sect. 4, I expand on this critique, showing that Norcross gives an unstable account of how to assess attitudes, such as desires, beliefs and emotions. In Sect. 5, I argue that appeal to a contextualist reductionism does little to make the scalar view appealing.
Plato’s Ideas in Lotze’s Light—On Husserl’s Reading of Lotze’s Logik
Authors: Arnold Thomas
Published: December 2022

Recent scholarship has shed more light on the relationship between Husserl and Lotze. And Husserl indeed claims of Lotze that “his inspired interpretation of the Platonic doctrine of Forms […] put up a bright first light and determined all further studies” (2002a, 297). In this paper I will try to answer the question what exactly Husserl saw in this “bright light”—the answer being much more complicated than “Platonism.” As I will show, Lotze misreads Plato, but in interesting ways, and Husserl in turn misreads Lotze. In other words, this paper is about a misreading of a misreading—yet one fundamental for the development of phenomenology in that Husserl’s engagement with Lotze enabled him (a) to expand and differentiate his own anti-reductionism in regard to ideal entities, leading him to two forms of what he calls “Platonism,” one of which even runs contrary to Lotze’s own account, and (b) to conceive of a method to gain truths about the material apriori. After a brief introduction, I will discuss (1) Lotze’s interpretation of Plato, (2) what Husserl took from it, and finally (3) Plato’s Platonism, to substantiate my claims1.
Family predictors of physical activity change during the COVID-19 lockdown in preschool children in Germany
Authors: Beck Franziska , Schmidt Steffen C. E. , Woll Alexander , Reimers Anne K.
Published: December 2022

The COVID-19 pandemic is associated with crucial changes in children’s daily life including their physical activity (PA) and screen time (ST). Among preschool children, the family represents an important factor for sufficient PA levels by being the gatekeeper for PA. Thus, the aim of this study was to investigate the influence of the family environment, specifically SES, parental support, and having siblings on COVID-19-related changes of PA and ST behavior in 317 (170 boys, 147 girls) German preschool children using longitudinal data. Our results indicate a decline in total amount of sports-related PA, an increase in outdoor play, as well as an increase in leisure ST in preschool children. The changes in total amount of PA differed between children with different levels of parental support as well as in dependence on having siblings. Furthermore, levels of outdoor play and ST in preschool children were influenced by environmental factors like having access to their own garden. We conclude that the family environment (parental support as well as physical environment) is highly relevant for PA and ST levels in preschool children. To provide every child with PA opportunities during potential future lockdowns, restriction policies should be adapted and parents need sophisticated information about the importance of their support and thus the PA levels of their children.
No need for mineness: Depersonalization/Derealization Disorder and mental state types
Authors: Knappik Franz
Published: December 2022

Depersonalization/Derealization Disorder (DPD) is a psychopathological condition in which subjects suffer from a massive alienation from themselves and the world around them. In recent years, several philosophers have proposed accounts that explain DPD in terms of an alteration in global features of normal consciousness, such as ‘mineness’. This article criticizes such accounts and develops an alternative approach, based on the observation that many mental states relate to the subject because of the kind of state they belong to. I argue that most symptoms of DPD can be understood as impairments in such forms of self-relation.
Women and key positions in scientific collaboration networks: analyzing central scientists’ profiles in the artificial intelligence ecosystem through a gender lens
Authors: Hajibabaei Anahita , Schiffauerova Andrea , Ebadi Ashkan
Published: December 2022

Scientific collaboration in almost every discipline is mainly driven by the need of sharing knowledge, expertise, and pooled resources. Science is becoming more complex which has encouraged scientists to involve more in collaborative research projects in order to better address the challenges. As a highly interdisciplinary field with a rapidly evolving scientific landscape, artificial intelligence calls for researchers with special profiles covering a diverse set of skills and expertise. Understanding gender aspects of scientific collaboration is of paramount importance, especially in a field such as artificial intelligence that has been attracting large investments. Using social network analysis, natural language processing, and machine learning and focusing on artificial intelligence publications for the period from 2000 to 2019, in this work, we comprehensively investigated the effects of several driving factors on acquiring key positions in scientific collaboration networks through a gender lens. It was found that, regardless of gender, scientific performance in terms of quantity and impact plays a crucial part in possessing the “social researcher” role in the network. However, subtle differences were observed between female and male researchers in acquiring the “local influencer” role.
The (dis)integration of nursing students. Multiple transitions, fragmented integration and implications for retention
Authors: Sweetman Rachel , Hovdhaugen Elisabeth , Thomas Liz
Published: December 2022

There are widespread concerns about a shortage of nurses in society, making it vital to educate and retain as many nursing students as possible. This paper interrogates the fit and relevance of established models for student retention, particularly Tinto’s model of student departure and its central notion of ‘integration’. Early social and academic integration of students is generally important to promote persistence and prevent early departure. We consider how integration plays out in degrees with extensive practice placements in clinical settings and large degree programme cohorts, investigating the challenges for persistence. Additionally, we question how well Tinto’s understanding of integration fits with the structure and format of the nursing programme. Building on comparative interviews with 2ndand 3rdyear nursing students in Norway and England, we argue that common understandings about how students are integrated into degree programmes are unlikely to fit the case of nursing. As this programme takes place at multiple sites, the integration process is often experienced as fragmented or interrupted. We find many nursing students describe a prolonged liminal state of disrupted integration, posing challenges for motivation, and greater risk of leaving. We suggest this is driven by shifts between practice and academic sites, combined with institutional practices which encourage frequent changes of peer group, physical location and academic network, all of which interrupt integration processes. Finally, the paper offers suggestions of institutional scope to promote integration within nursing degrees.
Female flowers first: QTL mapping in eastern black walnut (Juglans nigra L.) identifies a dominant locus for heterodichogamy syntenic with that in Persian walnut (J. regia L.)
Authors: Chatwin Warren , Shirley Devin , Lopez Jacqueline , Sarro Joseph , Carlson John , Devault Alison , Pfrender Mike , Revord Ronald , Coggeshall Mark , Romero-Severson Jeanne
Published: December 2022

Eastern black walnut (Juglans nigra L.), one of the most valuable timber and veneer trees in North America, provides nut shells with unique industrial uses and nut kernels with distinctive culinary attributes. A mature F1 full-sib progeny orchard of 248 individuals from the cross of two eastern black walnut cultivars provides a long-term resource for discovering genetic mechanisms controlling life history, quality traits, and stress resistance. The genetic linkage map, constructed with 356 single nucleotide polymorphism (SNP) markers and 62 expressed sequence tag simple sequence repeats (EST-SSRs), is 1645.7 cM in length, distributed across the expected 16 linkage groups. In this first application of QTL mapping in J. nigra, we report QTL for budbreak, peak pistillate bloom, peak staminate bloom, and heterodichogamy. A dominant major QTL for heterodichogamy is reported, the sequence for which is syntenic with the heterodichogamy QTL on chromosome 11 of Persian walnut (J. regia L.). The mapping population parents are both protogynous, and segregation suggests a Mendelian component, with a 3:1-like inheritance pattern from heterozygous parents. Mapping the sequenced EST-SSR markers to the J. regia “Chandler” V2.0 genome sequence revealed evidence for collinearity and structural changes on two of the sixteen chromosomes. The inclusion of sequenced EST-SSR markers enables the direct comparison of this and subsequent J. nigra maps and other Juglandaceae genetic maps. This investigation initiates long-term QTL detection studies for quality and stress resistance traits in black walnut.
Prenatal exposure to concentrated ambient PM2.5 results in spatial memory defects regulated by DNA methylation in male mice offspring
Authors: Yang Yingying , Yang Tingting , Zhou Ji , Cao Zhijuan , Liao Zehuan , Zhao Yan , Su Xiujuan , He Jia , Hua Jing
Published: December 2022

Ambient fine particulate matter (PM2.5) exposures during pregnancy could lead to adverse birth outcomes, including neurobehavioral development defects. However, limited studies explored the effects and potential epigenetic mechanisms of maternal PM2.5 exposure on offspring spatial memory defects. This study aims to explore the effects and underlying epigenetic mechanisms of maternal concentrated ambient PM2.5 exposure in male mice offspring with spatial memory defects. Pregnant female C57BL/6 mice were exposed daily to concentrated ambient PM2.5 (CAP) or filtered air (FA) throughout gestation, with the concentration of particulates (102.99 ± 78.74 μg/m3) and (2.78 ± 1.19 μg/m3), respectively. Adult male mice offspring were subsequently assessed for spatial learning and memory ability using Morris Water Maze tests and locomotor activities in open field tests. The hippocampus of the male mice offspring was harvested to test mRNA expression and DNA methylation. Results from the probe test of Morris Water Maze showed that the mice offspring in the CAP group had shorter swimming distance travelled in the target quadrant, shorter duration in the target quadrant, and less number of entries into the target quadrant (p < 0.05), suggesting spatial memory impairments. The acquisition trials of Morris Water Maze did not show a significant difference in learning ability between the groups. The mRNA level of interleukin 6 (IL-6) in the CAP group hippocampus (10.80 ± 7.03) increased significantly compared to the FA group (1.08 ± 0.43). Interestingly, the methylation levels of the CpG sites in the IL-6 promoter region declined significantly in the CAP group, (5.66 ± 0.83)% vs. (4.79 ± 0.48)%. Prenatal exposure to concentrated ambient PM2.5 induced long-lasting spatial memory defects in male mice offspring. The underlying biological mechanism might be mediated by an inflammatory reaction which is regulated by DNA methylation.
The effect of a digital health coaching and health education protocol on cognition in adults at-risk for Alzheimer’s
Authors: Campitelli Anthony , Gills Joshua L. , Jones Megan D. , Paulson Sally , Myers Jennifer , Bryk Kelsey , Madero Erica N. , Glenn Jordan M. , Rodgers Charlie H. , Kempkes Jenova A. , Gray Michelle
Published: December 2022

Several modifiable lifestyle factors have been linked to cognitive ability and the risk of developing Alzheimer’s disease and related dementias (ADRD). Health coaching (HC) is an intervention that addresses lifestyle factors associated with cognition. The effectiveness of an HC protocol was evaluated and compared with a health education (HE) intervention, representing the current standard of care, in a sample of 216 adults between the ages of 45 and 75 years who were at-risk for developing ADRD. Outcomes examined were global cognition, neuropsychological cognition, and Alzheimer’s risk. HC participants received personalized coaching from a health coach focusing on nutrition, physical activity, sleep, stress, social engagement, and cognitive activity. HE participants received biweekly education materials focusing on the same modifiable lifestyle factors addressed by HC. Participants were assessed at baseline and again 4 months later. Self-reported global cognition scores improved only in the HC group (16.18 to 15.52, p = .03) and neuropsychological cognitive ability improved in the HE group (104.48 to 108.76, p < .001). When non-adherence in the HC group was accounted for, however, the mean change in neuropsychological score was similar between groups (p > .05), self-reported global cognition demonstrated an even larger mean improvement in the HC group (16.20 to 15.41, p = .01), and the HC group saw an improvement in ADRD protective risk score (− 10.39 to − 11.45, p = .007). These results indicate that HC and HE can both improve cognition, but HC may be more effective and may yield increased protection against ADRD risk.
Difluoroalkylative carbonylation of alkenes to access carbonyl difluoro-containing heterocycles: convenient synthesis of gemigliptin
Authors: Bao Zhi-Peng , Zhang Youcan , Wang Le-Cheng , Wu Xiao-Feng
Published: December 2022

Fluorinated heterocycles play a vital role in pharmaceutical and agrochemical industries. Hence, rapid and efficient construction of fluorinated heterocycles remains highly demanded. Herein, a difluoroalkylative carbonylative cyclization of unactivated alkenes and ethylene gas enabled by palladium catalysis has been developed for the first time toward the synthesis of α-carbonyl difluoro-modified glutarimides. This procedure can also be applied to the synthesis of GeMigliptin which is a medicine approved for the treatment of type 2 diabetes mellitus.
Relationship between acoustic emission and energy dissipation: a DEM study of soil–structure interaction
Authors: Li Shijin , Smith Alister
Published: December 2022

Acoustic emission (AE) monitoring offers the potential to sense particle-scale interactions that lead to macro-scale responses of granular materials; however, there remains a paucity of understanding of the fundamental links between particle-scale mechanisms and AE generation in particulate materials, which limits interpretation of the measured AE. The objective of this study was to establish links between particulate-scale energies and AE activity measured at the macro-scale in experiments. To achieve this, a programme of 3D DEM simulations was performed on granular soil/steel structure interfaces and the results were compared with experimental measurements. The findings show that the fundamental particulate-scale mechanisms that contribute to AE generation are friction and damping in particulate rearrangement, with friction being the dominant mechanism (i.e. > 95% of the total energy). Dissipated plastic energy was influenced in the same way as measured AE activity by unload–reload behaviour, imposed stress level, mobilised shearing resistance, and shearing velocity. Relationships have been established between AE and dissipated plastic energy (R2from 0.96 to 0.99), which show AE generated per Joule of dissipated plastic energy is significantly greater in shearing than compression. A general expression has been proposed that links AE and plastic energy dissipation. This new knowledge enables improved interpretation of AE measurements and underpins the development of theoretical and numerical approaches to model and predict AE behaviour in particulate materials.
Surface-enhanced Raman Scattering and Localized Surface Plasmon Resonance Detection of Aldehydes Using 4-ATP Functionalized Ag Nanorods
Authors: Sinha Rajeev K.
Published: December 2022

Formaldehyde, acetaldehyde, and benzaldehyde are well-known carcinogens affecting human health adversely. Thus, there is a need for efficient detection of these aldehydes. This work uses 4-aminothiophenol (4-ATP) functionalized silver nanorods (Ag NRs) to detect these three aldehydes. The detection mode includes localized surface plasmon resonance (LSPR) and surface-enhanced Raman scattering (SERS). The LSPR band of 4-ATP functionalized Ag NRs shows a linear decrease in absorbance with the increase in formaldehyde and acetaldehyde concentrations. A sensitivity of 0.96 and 0.79 ΔA/mM for formaldehyde and acetaldehyde were obtained. In the case of benzaldehyde, a nearly exponential decrease in absorbance with the increase in concentrations was observed. Above 98.4 μM concentration, the absorbance diminishes completely. The LoD for formaldehyde and acetaldehyde detection using LSPR is 33.8 and 24.6 μM, respectively. The SERS studies reveal that the 4-ATP binds to Ag NRs through both –SH and –NH2 groups and facilitates the inter-particle charge transfer process. The appearance of b2 modes of vibration for 4-ATP evidences this charge transfer process. In the presence of aldehydes, the change in the band shape, relative intensities, and band position were observed primarily in b2 modes of vibration, evidencing the modulation in the charge transfer process. These remarkable changes were seen in μM concentration of aldehydes. Therefore, detection of these aldehydes with 4-ATP functionalized Ag NRs using SERS is possible in concentrations as low as ~ 1 μM.
Policy uncertainty and corporate investment: public versus private firms
Authors: Dreyer Christian , Schulz Oliver
Published: December 2022

Using a sample of comparably sized public listed and private firms from nine European countries, we show that public firms reduce their investments by about 50% more than private firms in response to an increase in policy-related uncertainty. We find suggestive evidence that this can be explained by public firms’ management being typically subject to greater shareholder scrutiny than private firms’ management. Furthermore, only public firms invest more efficiently when confronted with uncertainty. Thus, private firms may benefit from emulating the decision-making processes of public firms in uncertain times.
Carrots or sticks? Inferring motives of corporate CSR Engagement from empirical data
Authors: Kotzian Peter
Published: December 2022

What drives Corporate Social Responsibility (CSR) engagement of firms? Most empirical literature on firms’ CSR engagement focuses on benefits resulting from CSR engagement which are granted by the public. Other studies argue that firms are driven by fear of negative public reactions. This raises, firstly, the question, whether rewards or punishments drive CSR engagement of firms. Secondly, how can we find out, whether benefits or punishments are more relevant? This study starts out from the observation that CSR is defined by going beyond statutory prescriptions monitored and enforced by legal institutions. Existing literature argues that firms orient themselves at public expectations regarding CSR, which are presumed to increase over time. But the specific drivers and mechanisms of this increase are yet unclear. Based on simple behavioral assumptions, we derive developments of CSR engagement for the overall population of firms and sub-populations. These developments differ in crucial aspects, depending on whether firms engage in CSR because they expect benefits or punishments. Comparing empirical data on CSR engagement at the population and sub-group level from different economic regions with implications derived from the behavioral assumptions indicates that in the US, the public exercises pressure by imposing punishments rather than by offering rewards, while this is not the case in other economic regions.
Ultraviolet Applications to Control Patulin Produced by Penicillium expansum CMP-1 in Apple Products and Study of Further Patulin Degradation Products Formation and Toxicity
Authors: Nicolau-Lapeña Iolanda , Rodríguez-Bencomo Juan José , Colás-Medà Pilar , Viñas Inmaculada , Sanchis Vicente , Alegre Isabel
Published: December 2022

Patulin is a mycotoxin whose presence in apple-derived products and fruit juices is legally regulated, being its maximum limits established in the legislation of multiple countries. However, the management of contaminated batches is still an issue for producers. This investigation aims to evaluate ultraviolet light (254 nm, UV-C254nm) irradiation to find solutions that can be applied at different stages of the apple juice production chain. In this regard, 8.8 (UV-1) and 35.1 (UV-2) kJ m−2 treatments inactivated spores of Penicillium expansum CMP-1 on the surface of apples. Although the same treatments applied to wounded apples (either before the infection or after the infection, immediately or when the lesion had appeared) did not show any effect on the growth rate of P. expansum during storage (up to 14 days, at 4 or 25 °C), they reduced patulin content per lesion size in apples treated after the infection had occurred (patulin decreased from 2.24 (control) to 0.65 µg kg−1 cm−2 (UV-2 treated apples)). Additionally, the treatment of juice with patulin with ultraviolet light up to 450.6 kJ m−2 resulted in more than 98 % reduction of patulin. Degradation products of patulin after UV-C254nm treatments were tentatively identified by HPLC–MS, and toxicity and biological activities were assessed in silico, and results indicated that such products did not pose an increased risk when compared to patulin.
Reflections on Criminal Justice Reform: Challenges and Opportunities
Authors: Lattimore Pamela K.
Published: December 2022

Considerable efforts and resources have been expended to enact reforms to the criminal justice system over the last five decades. Concerns about dramatic increases in violent crime beginning in the late Sixties and accelerating into the 1980s led to the “War on Drugs” and the “War on Crime” that included implementation of more punitive policies and dramatic increases in incarceration and community supervision. More recent reform efforts have focused on strategies to reduce the negative impacts of policing, the disparate impacts of pretrial practices, and better strategies for reducing criminal behavior. Renewed interest in strategies and interventions to reduce criminal behavior has coincided with a focus on identifying “what works.” Recent increases in violence have shifted the national dialog from a focus on progressive reforms to reduce reliance on punitive measures and the disparate impact of the legal system on some groups to a focus on increased investment in “tough on crime” criminal justice approaches. This essay offers some reflections on the “Waged Wars” and the efforts to identify “What Works” based on nearly 40 years of work evaluating criminal justice reform efforts.
Prognostic value of semi-quantitative parameters of 18F-FDG PET/CT in newly diagnosed multiple myeloma patients
Authors: Wan Baoyu , Zhang Song , Wang Peng , Deng Pengyi , Dai Wenli
Published: December 2022

Objective

To investigate the prognostic value of fluroine-18 fluorodexyglucose positron emission tomography/computed tomography (18F-FDG PET/CT) semi-quantitative parameter in newly diagnosed multiple myeloma (NDMM) and to design a new staging system including 18F-FDG PET/CT semi-quantitative parameters for NDMM.

Methods

A total of 38 NDMM patients who underwent 18F-FDG PET/CT examination in Yichang Central People’s Hospital from February 2014 to April 2021 were collected. The relationship between the characteristics of 18F-FDG PET/CT (metabolic tumor volume of all lesions (aMTV), total lesion glycolysis of all lesions (aTLG), maximum standardized uptake values (SUVmax) of the lesion with largest MTV (mSUVmax), extramedullary disease (EMD), focal lesions (FLs)), the laboratory parameters, and prognostic parameters (progression-free survival (PFS) and overall survival (OS)) were analyzed retrospectively. SPSS 25.0 statistical software was used for statistical processing, Kaplan–Meier method was used for survival analysis, Log-rank method was used for univariate analysis, and Cox proportional risk model was used for multivariate analysis.

Results

Univariate analysis showed that aMTV ≥ 90.97cm3, aTLG ≥ 283.31 g, hemoglobin (Hb) < 100 g/L, focal lesions (FLs) ≥ 10, (percentage of circulating plasma cells (CPC%) ≥ 30%, creatinine (Cr) ≥ 177umol/L, lactic dehydrogenase (LDH) ≥ 250 g/L might be the adverse prognostic factors of PFS in patients with NDMM, all p < 0.05; aMTV ≥ 90.97 cm3, aTLG ≥ 283.31 g, Hb < 100 g/L, FLs ≥ 10, mSUVmax ≥ 5.8, the presence of extramedullary disease (EMD) and PCPs ≥ 30% may be adverse prognostic factors for OS in patients with NDMM, all p < 0.05. Multivariate regression analysis showed that aMTV ≥ 90.97 cm3 was an independent risk factor for PFS in NDMM patients, p < 0.05; aMTV ≥ 90.97 cm3, mSUVmax ≥ 5.8, and the presence of EMD were independent risk factors for OS in the NDMM patients, all p < 0.05. According to the multivariate analysis results of OS, the New stage (NS) was performed. The 3-year OS rates of stage I, stage II, and stage III in NDMM patients were 100.0, 53.5, and 32.1%, respectively, p = 0.000.

Conclusion

aMTV can predict PFS and OS of NDMM patients better than other parameters. NS which combined with aMTV can predict OS of NDMM patients better and can provide an accurate and simple method for risk stratification of NDMM patients.
Protein–protein interaction prediction methods: from docking-based to AI-based approaches
Authors: Tsuchiya Yuko , Yamamori Yu , Tomii Kentaro
Published: December 2022

Protein–protein interactions (PPIs), such as protein–protein inhibitor, antibody–antigen complex, and supercomplexes play diverse and important roles in cells. Recent advances in structural analysis methods, including cryo-EM, for the determination of protein complex structures are remarkable. Nevertheless, much room remains for improvement and utilization of computational methods to predict PPIs because of the large number and great diversity of unresolved complex structures. This review introduces a wide array of computational methods, including our own, for estimating PPIs including antibody–antigen interactions, offering both historical and forward-looking perspectives.
A simplified modeling procedure for adsorption at varying pH conditions using the modified Langmuir–Freundlich isotherm
Authors: Pereira Sharon K. , Kini Srinivas , Prabhu Balakrishna , Jeppu Gautham P.
Published: December 2022

Analytical isotherm models such as Langmuir isotherm, Freundlich isotherm, and other linear isotherms are commonly used for modeling adsorption datasets for a wide range of adsorption studies. Most of these studies consider pH to be fixed. However, pH is an important parameter that varies widely. Hence, the model parameters developed for one set of experiments cannot be used in another scenario where the pH is different. Surface complexation models that can simulate pH changes are complex, multi-parameter models that are difficult to use. The modified Langmuir–Freundlich (MLF) isotherm developed earlier by us could simulate pH-dependent adsorption on goethite-coated sands. However, it has only been tested for arsenic adsorption on goethite-coated sands. Therefore, chromium adsorption datasets were considered to extend this MLF isotherm for other metal ions. Two different adsorbents, viz. coconut root activated carbon (CoAC) and palm male flower activated carbon (PaAC), were selected for the adsorption modeling of Cr(VI) using the MLF isotherm model. An improved modeling strategy was developed for fitting the MLF isotherm, which required only a single pH versus adsorption dataset, instead of several isotherms at different pH values. The new methodology could simulate the pH-dependent adsorption satisfactorily for various experimental datasets. The maximum adsorption capacity was 88.64 (mg/g) and 100.1 (mg/g) for PaAC and CoAC, respectively. The affinity constant for this model (Ka) was found to be 0.007 (L/mg) for PaAC dataset and 0.0106(L/mg) and 0.004 (L/mg) for the CoAC dataset. The average R2 values of fitting were calculated and found to be 0.98 for PaAC and 0.85 for CoAC. The average root mean square error (RSME) of the fitting of the model was 0.07 (less than 10%). This modeling strategy required less experimental data and did not require advanced characterization studies. Therefore, this study indicates that the MLF isotherm can be extended to other contaminants and for different adsorbents to model the pH-dependent adsorption.
Application of augmented bat algorithm with artificial neural network in forecasting river inflow in Malaysia
Authors: Wee Wei Joe , Chong Kai Lun , Ahmed Ali Najah , Malek Marlinda Binti Abdul , Huang Yuk Feng , Sherif Mohsen , Elshafie Ahmed
Published: December 2022

Hydrologists rely extensively on anticipating river streamflow (SF) to monitor and regulate flood management and water demand for people. Only a few simulation systems, where previous techniques failed to anticipate SF data quickly, let alone cost-effectively, and took a long time to execute. The bat algorithm (BA), a meta-heuristic approach, was used in this study to optimize the weights and biases of the artificial neural network (ANN) model. The proposed hybrid work was validated in five different study areas in Malaysia. The statistical tests analysis of the preliminary results revealed that hybrid BA-ANN was superior to forecasting the SF at all five selected study areas, with average RMSE values of 0.103 m3/s for training and 0.143 m3/s for testing as compared to ANN standalone training and testing yielding 0.091 m3/s and 0.116 m3/s, respectively. This finding signifies that the implementation of BA into the ANN model resulted in a 20% improvement. In addition, with an R2 score of 0.951, the proposed model showed a better correlation than the 0.937 value of R2 of standard ANN. Nonetheless, while the proposed work outperformed the conventional ANN, the Taylor diagram, violin plot, relative error, and scatter plot findings confirmed the disparities in the proposed work’s performance throughout the research regions. The findings of these evaluations highlighted that the adaptability of the proposed works would need detailed investigation because its performance differed from case to case.
In vitro–in vivo correlation of drug release profiles from medicated contact lenses using an in vitro eye blink model
Authors: Pereira-da-Mota Ana F. , Vivero-Lopez Maria , Garg Piyush , Phan Chau-Minh , Concheiro Angel , Jones Lyndon , Alvarez-Lorenzo Carmen
Published: December 2022

There is still a paucity of information on how in vitro release profiles from drug-loaded contact lenses (CLs) recorded in 3D printed eye models correlate with in vivo profiles. This work aims to evaluate the release profiles of two drug-loaded CLs in a 3D in vitro eye blink model and compare the obtained results with the release in a vial and the drug levels in tear fluid previously obtained from an animal in vivo study. In vitro release in the eye model was tested at two different flow rates (5 and 10 µL/min) and a blink speed of 1 blink/10 s. Model CLs were loaded with two different drugs, hydrophilic pravastatin and hydrophobic resveratrol. The release of both drugs was more sustained and lower in the 3D eye model compared to the in vitro release in vials. Interestingly, both drugs presented similar release patterns in the eye model and in vivo, although the total amount of drugs released in the eye model was significantly lower, especially for resveratrol. Strong correlations between percentages of pravastatin released in the eye model and in vivo were found. These findings suggest that the current 3D printed eye blink model could be a useful tool to measure the release of ophthalmic drugs from medicated CLs. Nevertheless, physiological parameters such as the composition of the tear fluid and eyeball surface, tear flow rates, and temperature should be optimized in further studies.

Graphical abstract