bluuebunny/crossref_metadata_2025_split huggingface dataset:
DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data
Authors: Kim Hyun Woo , Zhang Chen , Reher Raphael , Wang Mingxun , Alexander Kelsey L. , Nothias Louis-Félix , Han Yoo Kyong , Shin Hyeji , Lee Ki Yong , Lee Kyu Hyeong , Kim Myeong Ji , Dorrestein Pieter C. , Gerwick William H. , Cottrell Garrison W. 
Published: August 2023

AbstractThe identification of molecular structure is essential for understanding chemical diversity and for developing drug leads from small molecules. Nevertheless, the structure elucidation of small molecules by Nuclear Magnetic Resonance (NMR) experiments is often a long and non-trivial process that relies on years of training. To achieve this process efficiently, several spectral databases have been established to retrieve reference NMR spectra. However, the number of reference NMR spectra available is limited and has mostly facilitated annotation of commercially available derivatives. Here, we introduce DeepSAT, a neural network-based structure annotation and scaffold prediction system that directly extracts the chemical features associated with molecular structures from their NMR spectra. Using only the 1H-13C HSQC spectrum, DeepSAT identifies related known compounds and thus efficiently assists in the identification of molecular structures. DeepSAT is expected to accelerate chemical and biomedical research by accelerating the identification of molecular structures.
Linking sustainability and the Fourth Industrial Revolution: a monitoring framework accounting for technological development
Authors: Siekmann Florian , Schlör Holger , Venghaus Sandra 
Published: August 2023

Abstract
Background
In this article, the concept of the Fourth Industrial Revolution and related implications for the measurement of sustainable development are analyzed. Technological innovations can play an important role in countering errant developments of the past and can support the transformation process towards a green economy in pursuit of the Sustainable Development Goals. On the other hand, they pose challenges to the social control of technology and represent a methodical quandary known as the Collingridge dilemma. The core statement of the dilemma is that the implications of new technologies will only be fully visible once they are embedded in socio-economic-ecological systems when the possibilities to control diminish. The main objective of this study is thus to develop a monitoring framework enabling the ex ante assessment of related technological shifts and their implications for sustainable development.

Results
To approach the resulting difficulties for sustainability monitoring, digitization indicators should be accounted for in the German Sustainable Development Strategy. An enhanced strategy complemented by related Global Competitiveness Index 4.0 indicators, for which the Word Economic Forum assumes a modest link between competitiveness and inequality, illustrates the feasibility of linking research regarding the Fourth Industrial Revolution and sustainable development to measure its social and environmental consequences. The newly developed Sustainable Digital Socio-Economic-Ecological Indicator System categorizes the sustainability indicators into one index covering all Sustainable Development Goals along with four sub-indices emphasizing crucial aspects relevant to navigating a successful transformation. This novel and innovative approach is illustrated using the examples of Germany.

Conclusions
The Fourth Industrial Revolution is fundamentally driven by introducing renewable energy resources as a new energy regime. However, the effects extend beyond energy and necessitate comprehensive measurement frameworks for assessing sustainable development implications. This work contributes by analyzing the related impact on sustainable development and providing decision-makers with new insights for early recognition. Preliminary results for Germany expose a discrepancy between the status quo and the desired pathway, indicating emerging effects of the Fourth Industrial Revolution on inequality, employment, and education. While none of the sectors are sustainable, the sub-index analysis highlights distinct disparities among economic, social, and ecological sectors.
Pulmonary endarterectomy in patients with occlusive isolated pulmonary vasculitis
Authors: Ma Jiexu , Song Wu , Xu Hang , Zhong ZhaoJi , Huyan Yige , Liu Sheng 
Published: August 2023

Abstract
Background
Isolated pulmonary vasculitis (IPV) is a rare, insidious, and localized inflammatory disease affecting the pulmonary arteries, often leading to severe luminal obstruction. The prognosis for patients with occlusive IPV is poor, and there is currently a lack of effective treatments. The objective of this study was to evaluate the performance of pulmonary endarterectomy (PEA) as a treatment for occlusive IPV.

Methods
This single-center retrospective analysis included patients who received PEA for occlusive IPV between January 2018 and June 2022. Clinical characteristics and hemodynamic parameters were evaluated at baseline and follow-up.

Results
Among 114 consecutive patients who underwent PEA, occlusive IPV was identified in 7 patients. Two patients underwent bilateral PEA for the involvement of both pulmonary arteries. Patch angioplasty was performed to treat four severe constrictions. One patient died from residual pulmonary hypertension after limited PEA of a transmural vascular lesion. In addition, no obvious surgical complications were observed. Three months after PEA, a substantial relief in symptoms was achieved. Also, there is a decrease in the mean pulmonary artery pressure (median 33 [20–48] mmHg before versus median 21 [16–26] mmHg after; P < 0.018) and pulmonary arterial resistance (median 234 [131–843] dyn.s.cm−5 versus median 180 [150–372] dyn.s.cm−5; P = 0.310). Three patients experienced a relapse of restenosis of the treated arteries within a 6-month follow-up period, despite daily oral prednisolone administration. They were treated with balloon pulmonary angioplasty of both the main pulmonary arteries and branches.

Conclusions
PEA is a valuable choice for treating occlusive IPV, with notable hemodynamic and clinical advantages. To increase long-term vascular patency, complete management should be optimized.
A review of the application of mesenchymal stem cells in the field of hematopoietic stem cell transplantation
Authors: Lin Ting , Yang Yunfan , Chen Xinchuan 
Published: August 2023

AbstractHematopoietic stem cell transplantation (HSCT) is an effective treatment for many malignant hematological diseases. Mesenchymal stem cells (MSCs) are nonhematopoietic stem cells with strong self-renewal ability and multidirectional differentiation potential. They have the characteristics of hematopoietic support, immune regulation, tissue repair and regeneration, and homing. Recent studies have shown that HSCT combined with MSC infusion can promote the implantation of hematopoietic stem cells and enhance the reconstruction of hematopoietic function. Researchers have also found that MSCs have good preventive and therapeutic effects on acute and chronic graft-versus-host disease (GVHD), but there is still a lack of validation in large-sample randomized controlled trials. When using MSCs clinically, it is necessary to consider their dose, source, application time, application frequency and other relevant factors, but the specific impact of the above factors on the efficacy of MSCs still needs further clinical trial research. This review introduces the clinical roles of MSCs and summarizes the most recent progress concerning the use of MSCs in the field of HSCT, providing references for the later application of the combination of MSCs and HSCT in hematological diseases.
Prepulse inhibition deficit as a transdiagnostic process in neuropsychiatric disorders: a systematic review
Authors: Santos-Carrasco Daniel , De la Casa Luis Gonzalo 
Published: August 2023

AbstractBackgroundPsychopathological research is moving from a specific approach towards transdiagnosis through the analysis of processes that appear transversally to multiple pathologies. A phenomenon disrupted in several disorders is prepulse inhibition (PPI) of the startle response, in which startle to an intense sensory stimulus, or pulse, is reduced if a weak stimulus, or prepulse, is previously presented.Objective and methodsThe present systematic review analyzed the role of PPI deficit as a possible transdiagnostic process for four main groups of neuropsychiatric disorders: (1) trauma-, stress-, and anxiety-related disorders (2) mood-related disorders, (3) neurocognitive disorders, and (4) other disorders such as obsessive-compulsive, tic-related, and substance use disorders. We used Web of Science, PubMed and PsycInfo databases to search for experimental case-control articles that were analyzed both qualitatively and based on their potential risk of bias. A total of 64 studies were included in this systematic review. Protocol was submitted prospectively to PROSPERO 04/30/2022 (CRD42022322031).Results and conclusionThe results showed a general PPI deficit in the diagnostic groups mentioned, with associated deficits in the dopaminergic neurotransmission system, several areas implied such as the medial prefrontal cortex or the amygdala, and related variables such as cognitive deficits and anxiety symptoms. It can be concluded that the PPI deficit appears across most of the neuropsychiatric disorders examined, and it could be considered as a relevant measure in translational research for the early detection of such disorders.
Individual variation in the habitat selection of upstream migrating fish near a barrier
Authors: Mawer Rachel , Bruneel Stijn P. , Pauwels Ine S. , Elings Jelger , Pickholtz Eliezer , Pickholtz Renanel , Schneider Matthias , Coeck Johan , Goethals Peter L. M. 
Published: August 2023

Abstract
Background
Migration is a vital element of the life cycle of many freshwater fish species but is increasingly hampered globally by riverine barriers. Fish passes are a common approach to enable migration past barriers but are often ineffective. More knowledge is required on fish behaviour as they approach barriers such as habitat preferences.

Methods
We evaluate the habitat selection of two upstream migrating fish species, barbel Barbus barbus and grayling Thymallus thymallus, at a hydropower plant in southern Germany, considering individual variation and population trends. Fish were tracked via fine-scale 2D acoustic telemetry in 2018 during their spawning migration. Step selection functions were used to evaluate selection of hydraulic parameters by the fish for a time step of 20 s. Exploratory models were built via model selection for each individual fish, to evaluate the extent of individual variation in model structure. A population model was developed for each species by averaging coefficients from individual models to describe general trends. The extent of individual variation was determined and confidence intervals for the population model coefficients were calculated.

Results
Fish varied greatly in individual model structure though common terms were apparent in both species, such as depth, flow velocity, the angular difference between fish and velocity, and the logarithm of the step length. Final population models for barbel included several parameters describing habitat selection and displacement. Barbel selected for faster flows, deeper water, and higher spatial velocity gradients. In addition, they selected to move more with the flow than against. Interactions were also present between habitat parameters, suggesting selection is context dependent. Barbel movement speed also changed with depth, flow velocity and spatial velocity gradient. With grayling, terms often had contrasting effects among individuals and thus general trends could not be distinguished for most terms.

Conclusion
Our findings demonstrate habitat selection by upstream migrating fish approaching a fish pass and differences in individual selection which may have an impact on barrier management. Step selection functions are a promising approach and can provide useful insight into habitat selection and movement by migrating freshwater fish in an altered river system.
Nearly one-in-five households utilized inadequate iodized salt in Nifas Silk Sub-City, Addis Ababa, Ethiopia
Authors: Mezgebu Getachew Sale , Enyew Endalkachew Amare , Tefera Beakal Zinab , Feleke Fentaw Wassie 
Published: August 2023

Abstract
Background
There is no country in the developing world where iodine deficiency is not a public health problem including Ethiopia. Therefore, this study aimed to assess inadequate utilization of iodized salt and associated factors at household level in woreda 11 Nifas Silk Sub-city, Addis Ababa, Ethiopia.

Methods
A community-based cross-sectional study was conducted with multistage sampling technique on 348 household respondents. The data were collected using interviewer-administered structured questionnaires and an iodine rapid test kit. The data were edited, cleaned, and entered using Epi-data version 4.6.2 and exported to SPSS version 25 for analysis. A multivariable logistic regression model was fitted to identify associated factors for inadequate utilization of iodized salt. The statistical significance was declared at a p-value of less than 0.05 with 95% confidence interval.

Results
A total of 348 household respondents were participated. The amount of iodine content in salt 0 ppm, < 15ppm and > 15ppm were 11.8%, 7.2% and 81.0% respectively. Total inadequate utilization of iodized salt was 19%. Using unpacked salt [AOR; 0.50 (95%CI: 0.27, 0.93)], using a container without a lid [AOR; 0.29 (95%CI: 013, 0.63)], and having insufficient knowledge [AOR; 2.10 (95%CI: 1.14, 3.86)] were all significantly connected with using inadequate iodized salt.

Conclusions
Iodized salt utilization was inadequate. Using containers without a lid, unpacked salt, and poor knowledge were associated factors. There should be a provision of adequate knowledge about iodized salt, a proper storage and handling.
Application of fused-grid-based CYP-Template systems for genotoxic substances to understand the metabolisms
Authors: Yamazoe Yasushi , Murayama Norie , Kawamura Tomoko , Yamada Takashi 
Published: August 2023

AbstractUnderstanding of metabolic processes is a key factor to evaluate biological effects of carcinogen and mutagens. Applicability of fused-grid Template* systems of CYP enzymes (Drug Metab Pharmacokinet 2019, 2020, 2021, and 2022) was tested for three phenomena. (1) Possible causal relationships between CYP-mediated metabolisms of β-naphthoflavone and 3-methylcholanthrene and the high inducibility of CYP enzymes were examined. Selective involvement of non-constitutive CYP1A1, but not constitutive CYP1A2, was suggested on the oxidative metabolisms of efficient inducers, β-naphthoflavone and 3-methylcholanthrene. These results supported the view of the causal link of their high inducibility with their inefficient metabolisms due to the lack of CYP1A1 in livers at early periods after the administration of both inducers. (2) Clear differences exist between human and rodent CYP1A1 enzymes on their catalyses with heterocyclic amines, dioxins and polyaromatic hydrocarbons (PAHs). Reciprocal comparison of simulation results with experimental data suggested the rodent specific site and distinct sitting-preferences of ligands on Template for human and rodent CYP1A1 enzymes. (3) Enhancement of metabolic activation and co-mutagenicity have been known as phenomena associated with Salmonella mutagenesis assay. Both the phenomena were examined on CYP-Templates in ways of simultaneous bi-molecule bindings of distinct ligands as trigger and pro-metabolized molecules. α-Naphthoflavone and norharman served consistently as trigger-molecules to support the oxidations of PAHs and arylamines sitting simultaneously as pro-metabolized molecules on Templates of CYP1A1, CYP1A2 and CYP3A4. These CYP-Template simulation systems with deciphering capabilities are promising tools to understand the mechanism basis of metabolic activations and to support confident judgements in safety assessments.
A review of current status of cell-based therapies for aortic aneurysms
Authors: Yamawaki-Ogata Aika , Mutsuga Masato , Narita Yuji 
Published: August 2023

AbstractAn aortic aneurysm (AA) is defined as focal aortic dilation that occurs mainly with older age and with chronic inflammation associated with atherosclerosis. The aneurysmal wall is a complex inflammatory environment characterized by endothelial dysfunction, macrophage activation, vascular smooth muscle cell (VSMC) apoptosis, and the production of proinflammatory molecules and matrix metalloproteases (MMPs) secreted by infiltrated inflammatory cells such as macrophages, T and B cells, dendritic cells, neutrophils, mast cells, and natural killer cells. To date, a considerable number of studies have been conducted on stem cell research, and growing evidence indicates that inflammation and tissue repair can be controlled through the functions of stem/progenitor cells. This review summarizes current cell-based therapies for AA, involving mesenchymal stem cells, VSMCs, multilineage-differentiating stress-enduring cells, and anti-inflammatory M2 macrophages. These cells produce beneficial outcomes in AA treatment by modulating the inflammatory environment, including decreasing the activity of proinflammatory molecules and MMPs, increasing anti-inflammatory molecules, modulating VSMC phenotypes, and preserving elastin. This article also describes detailed studies on pathophysiological mechanisms and the current progress of clinical trials.
High performing primary health care organizations from patient perspective: a qualitative study in China
Authors: Wang Wenhua , Zhang Jinnan , Loban Katya , Wei Xiaolin 
Published: August 2023

Abstract
Background
There is a global call to build people-centred primary health care (PHC) systems. Previous evidence suggests that without organization-level reform efforts, the full potential of policy reforms may be limited. This study aimed to generate a profile of high performing PHC organizations from the perspective of patients.

Methods
We conducted semi-structured interviews with 58 PHC users from six provinces (Shandong, Zhejiang, Shaanxi, Henan, Shanxi, Heilongjiang) in China using purposive and snowball sampling techniques. Transcription was completed by trained research assistants through listening to the recordings of the interviews and summarizing them in English by 30-s segments to generate the narrative summary. Informed by the Classification System of PHC Organizational Attributes, thematic analysis aimed to identify domains and attributes of high performing PHC organizations.

Results
A profile of a high performing PHC organization with five domains and 14 attributes was generated. The five domains included: (1) organizational resources including medical equipment, human and information resource; (2) service provision and clinical practice including practice scope, internal integration and external integration; (3) general features including location, environment and ownership; (4) quality and cost; and (5) organizational structure including continuous learning mechanism, administrative structure and governance.

Conclusions
A five-domain profile of high performing PHC organizations from the perspective of Chinese PHC users was generated. Organizational resources, service delivery and clinical practices were most valued by the participants. Meanwhile, the participants also had strong expectation of geographical accessibility, high quality of care as well as efficient organizational structure. These organizational elements should be reflected in further reform efforts in order to build high performing PHC organizations.
Management of bacterial wilt (Ralstonia solanacearum) of brinjal using Bacillus cereus, Trichoderma harzianum and Calotropis gigantea consortia in Bangladesh
Authors: Qulsum Most. Ummey , Islam Md. Mukul , Chowdhury Md. Emran Khan , Hossain Sheikh Md. Mobarak , Hasan Md. Mohidul 
Published: August 2023

Abstract
Background
Bacterial wilt caused by Ralstonia solanacearum is a devastating disease of brinjal in Bangladesh. The study was targeted to evaluate the bacterial wilt management ability of microbial consortia composed of isolated and identified native Bacillus cereus, Trichoderma harzianum and Calotropis gigantea for the first time in Bangladesh.

Results
Twenty bacterial strains were isolated from the rhizosphere of the brinjal plant following serial dilution method. Among the strains, HSTUB 17 showed maximum zone of inhibition (1.5 ± 0.1 cm) against R. solanacearum in the dual culture method. Molecular characterization using 16 s rRNA partial coding sequence revealed HSTUB 17 as B. cereus. Consortia composed with the identified B. cereus HSTUB 17 (108 CFU ml−1 @ 5 ml/plant), previously isolated T. harzianum (@5 mm size of four mycelial disk/plant) and aqueous leaf extracts of C. gigantea (1:1, w/v basis @ 40 ml/plant) were applied in the root zone following soil drenching method and found to reduce bacterial wilt incidence by 74.87, 66.67 and 66.67% at 30, 50 and 70 days after transplanting, respectively, in comparison with plants received only R. solanacearum (108 CFU ml−1 @ 5 ml/plant). The single application of B. cereus HSTUB 17, T. harzianum and C. gigantea also minimized wilt incidence by 21.16–37.34, 33.33 and 21.48–28.14%, respectively, on all the days of observations. The consortia of B. cereus HSTUB 17, T. harzianum and C. gigantea also resulted in maximum plant height (56.67 cm), the number of branches/plants (10.33), the number of fruits/plants (8.33) and fruit yield (25.56 ton/ha) in comparison with the plant exposed to R. solanacearum only.

Conclusion
The findings of the study revealed the potentiality of consortia composed of B. cereus HSTUB 17, T. harzianum and C. gigantea for the eco-friendly management of bacterial wilt of brinjal for the first time in Bangladesh.
Identification of small diameter nerve fiber damage in hemodialysis patients' hands using the cutaneous silent period
Authors: Al-Adl Ahmed Salama , Ali Hossam Abd El Monem 
Published: August 2023

Abstract
Background
The arteriovenous fistula is the most effective vascular access option for hemodialysis patients. An important and largely unreported concern detected at follow-up is the complaints of tingling or numbness in the hands of those patients. Furthermore, the cutaneous silent period qualifies as a straightforward evaluation of small nerve fiber function. This study aims to evaluate the function of small-diameter nerve fibers in the hands of patients undergoing continuous hemodialysis (HD) on the side with the arteriovenous fistula (AVF) and on the contralateral side.

Results
A cross-sectional study of 40 randomly chosen patients with chronic kidney disease on regular hemodialysis three times weekly the cutaneous silent period (CSP) was recorded on the hand with and without AV fistula. The cutaneous silent period (CSP) CSP was elicited by electrical square pulse stimulation using standard bipolar electrodes. The average cutaneous silent period onset and end latencies demonstrated significant prolongation in the hemodialysis patient group (arteriovenous fistula and non-arteriovenous fistula) compared with the control group. Correlation between cutaneous silent period with hemodialysis duration and adequacy of hemodialysis (KT\V). There was a statistically negative correlation observed between cutaneous silent period onset latency on the arteriovenous side and a positive correlation with KT\V on non-arteriovenous fistula. side.

Conclusions
Hemodialysis patients recommended to undergo regular neurophysiological testing to check for small nerve fiber affection. In particular, measuring the cutaneous Silent period that provides a quick and noninvasive way to rule out small A-delta nerve malfunction. In addition, less nerve injury results from hemodialysis's increased efficiency.