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Libcint is a library designed for the evaluation of analytical integrals for Gaussian type orbitals. It prioritizes simplicity, ease of use, and efficiency for the development of quantum chemistry programs. In the release of version 6.0, Libcint supports the computation of integrals for various operators, such as overlap, Coulomb, Gaunt, Breit, attenuated Coulomb, Slater-type geminals, and Yukawa potential, as well as arbitrary orders of derivatives for these operators. To enhance the usability of the library, Libcint provides a uniform function signature for all integral functions. A code generator is included to automate the implementation of new integrals. To achieve better performance on modern central processing unit architectures, the library employs explicit single instruction multiple data parallelization in the code implementation. [ABSTRACT FROM AUTHOR]

We present a new library designed to provide a simple and straightforward way to implement QM/AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Applications) and other polarizable QM/MM (Molecular Mechanics) methods based on induced point dipoles. The library, herein referred to as OpenMMPol, is free and open-sourced and is engineered to address the increasing demand for accurate and efficient QM/MM simulations. OpenMMPol is specifically designed to allow polarizable QM/MM calculations of ground state energies and gradients and excitation properties. Key features of OpenMMPol include a modular architecture facilitating extensibility, parallel computing capabilities for enhanced performance on modern cluster architectures, a user-friendly interface for intuitive implementation, and a simple and flexible structure for providing input data. To show the capabilities offered by the library, we present an interface with PySCF to perform QM/AMOEBA molecular dynamics, geometry optimization, and excited-state calculation based on (time-dependent) density functional theory. [ABSTRACT FROM AUTHOR]

Background: Nocardiosis, despite its rarity and underreporting, is significant due to its severe impact, characterized by high morbidity and mortality rates. The development of a precise, reliable, rapid, and straightforward technique for identifying the pathogenic agent in clinical specimens is crucial to reduce fatality rates and facilitate timely antimicrobial treatment. In this study, we aimed to identify Nocardia spp. in clinical isolates, using MALDI-TOF MS as the primary method, with molecular methods as the gold standard. Clinical Nocardia isolates were identified using 16S rRNA/hsp65/gyrB/secA1/rpoB gene sequencing. Identification performance of the Bruker MALDI Biotyper 3.1 (V09.0.0.0_8468) and MBT Compass 4.1 (V11.0.0.0_10833) for Nocardia identification was evaluated. Results: Seventy-six Nocardia isolates were classified into 12 species through gene sequencing. The MALDI Biotyper 3.1 (V09.0.0.0_8468) achieved 100% genus-level accuracy and 84.2% species accuracy (64/76). The MBT Compass 4.1 with the BDAL Database (V11.0.0.0_10833) improved species identification to 98.7% (75/76). The updated database enhanced species level identification with scores > 1.7, increasing from 77.6% (59/76) to 94.7% (72/76), a significant improvement (P = 0.001). The new and simplified extraction increased the proportion of strains identified to the species level with scores > 1.7 from 62.0% (18/29) to 86.2% (25/29) (P = 0.016). An in-house library construction ensured accurate species identification for all isolates. Conclusions: The Bruker mass spectrometer can accurately identify Nocardia species, albeit with some variations observed between different database versions. The MALDI Biotyper 3.1 (V09.0.0.0_8468) has limitations in identifying Nocardia brasiliensis, with some strains only identifiable to the genus level. MBT Compass 4.1 (V11.0.0.0_10833) effectively addresses this shortfall, improving species identification accuracy to 98.7%, and offering quick and reliable identification of Nocardia. Both database versions incorrectly identified the clinically less common Nocardia sputorum as Nocardia araoensis. For laboratories that have not upgraded their databases and are unable to achieve satisfactory identification results for Nocardia, employing the new and simplified extraction method can provide a degree of improvement in identification outcomes. [ABSTRACT FROM AUTHOR]

Summary Chromatin immunoprecipitation and sequencing (vs ChIP‐seq) is an essential tool for epigenetic and molecular genetic studies. Although being routinely used, ChIP‐seq is expensive, requires grams of plant materials, and is challenging for samples that enrich fatty acids such as seeds. Here, we developed an Ultrasensitive Plant ChIP‐seq (UP‐ChIP) method based on native ChIP‐seq combined with Tn5 tagmentation‐based library construction strategy. UP‐ChIP is generally applicable for profiling both histone modification and Pol II in a wide range of plant samples, such as a single Arabidopsis seedling, a few Arabidopsis seeds, and sorted nuclei. Compared with conventional ChIP‐seq, UP‐ChIP is much less labor intensive and only consumes 1 μg of antibody and 10 μl of Protein‐A/G conjugated beads for each IP and can work effectively with the amount of starting material down to a few milligrams. By performing UP‐ChIP in various conditions and genotypes, we showed that UP‐ChIP is highly reliable, sensitive, and quantitative for studying histone modifications. Detailed UP‐ChIP protocol is provided. We recommend UP‐ChIP as an alternative to traditional ChIP‐seq for profiling histone modifications and Pol II, offering the advantages of reduced labor intensity, decreased costs, and low‐sample input. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Academic Library & Information Science is the property of Anhui University and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Academic Library & Information Science is the property of Anhui University and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Academic Library & Information Science is the property of Anhui University and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Environmental & Social Management Journal / Revista de Gestão Social e Ambiental is the property of Environmental & Social Management Journal and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

An approach for the agnostic identification and validation of aptamers for the prediction of a medical state from plasma analysis is presented in application to a key risk factor for Alzheimer's disease. brain amyloid deposition. This method involved the use of a newly designed aptamer library with sixteen random nucleotides interspersed with fixed sequences called a Neomer library. The Neomer library approach enables the direct application of the same starting library on multiple plasma samples, without the requirement for pre-enrichment associated with the traditional approach. Eight aptamers were identified as a result of the selection process and screened across 390 plasma samples by qPCR assay. Results were analysed using multiple machine learning algorithms from the Scikit-learn package along with clinical variables including cognitive status, age and sex to create predictive models. An Extra Trees Classifier model provided the highest predictive power. The Neomer approach resulted in a sensitivity of 0.88. specificity of 0.76. and AUC of 0.79. The only clinical variables that were included in the model were age and sex. We conclude that the Neomer approach represents a clear improvement for the agnostic identification of aptamers (Aptamarkers) that bind to unknown biomarkers of a medical state. [ABSTRACT FROM AUTHOR]

AbstractThis study explored user perspectives on library design elements, amenities, and services that can potentially enhance the reading experience. Data were collected through a self-administered questionnaire with 537 students. The majority of respondents (86.8%) reported enjoying reading in library environments. Regarding design aspects, having an integrated layout with shelves, chairs and tables cohesively arranged in the reading room was most appealing. Users also favored the presence of other readers and collaborative table designs. Group-study rooms were viewed positively, with 51.2% strongly liking the option to use them and perceiving benefits for learning. While opinions were divided on introducing food services, most supported adding new technologies like 3D printers, art galleries, and museum exhibits. Chi-square analysis revealed significant associations between enjoying library reading and preferences for shared reading spaces with other users (p = 0.024) and group-study rooms. In conclusion, fostering a sense of community, scholarly exchange, and integrated space conducive to focused reading emerged as key factors for enhancing the reading experience in libraries. [ABSTRACT FROM AUTHOR]

Empirical studies of genotype–phenotype–fitness maps of proteins are fundamental to understanding the evolutionary process, in elucidating the space of possible genotypes accessible through mutations in a landscape of phenotypes and fitness effects. Yet, comprehensively mapping molecular fitness landscapes remains challenging since all possible combinations of amino acid substitutions for even a few protein sites are encoded by an enormous genotype space. High-throughput mapping of genotype space can be achieved using large-scale screening experiments known as multiplexed assays of variant effect (MAVEs). However, to accommodate such multi-mutational studies, the size of MAVEs has grown to the point where a priori determination of sampling requirements is needed. To address this problem, we propose calculations and simulation methods to approximate minimum sampling requirements for multi-mutational MAVEs, which we combine with a new library construction protocol to experimentally validate our approximation approaches. Analysis of our simulated data reveals how sampling trajectories differ between simulations of nucleotide versus amino acid variants and among mutagenesis schemes. For this, we show quantitatively that marginal gains in sampling efficiency demand increasingly greater sampling effort when sampling for nucleotide sequences over their encoded amino acid equivalents. We present a new library construction protocol that efficiently maximizes sequence variation, and demonstrate using ultradeep sequencing that the library encodes virtually all possible combinations of mutations within the experimental design. Insights learned from our analyses together with the methodological advances reported herein are immediately applicable toward pooled experimental screens of arbitrary design, enabling further assay upscaling and expanded testing of genotype space. [ABSTRACT FROM AUTHOR]

Copyright of ABI Technik is the property of De Gruyter and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of ABI Technik is the property of De Gruyter and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

A numerical model of oil displacement by a mixture of water and polymer based on the Peaceman model is considered. Numerical experiments were carried out using the DuMux package, which is a software library designed for modeling nonstationary hydrodynamic problems in porous media. The software package uses the vertex-centered variant of finite volume method. The effect of diffusion on the growth rate of "viscous fingers" has been studied. The dependencies of the leading front velocity on the value of model diffusion are obtained for three viscosity models. It is shown that the effect of numerical diffusion on the growth rate of "viscous fingers" imposes limitations on calculations for small values of model diffusion. [ABSTRACT FROM AUTHOR]

The effective design of combinatorial libraries to balance fitness and diversity facilitates the engineering of useful enzyme functions, particularly those that are poorly characterized or unknown in biology. We introduce MODIFY, a machine learning (ML) algorithm that learns from natural protein sequences to infer evolutionarily plausible mutations and predict enzyme fitness. MODIFY co-optimizes predicted fitness and sequence diversity of starting libraries, prioritizing high-fitness variants while ensuring broad sequence coverage. In silico evaluation shows that MODIFY outperforms state-of-the-art unsupervised methods in zero-shot fitness prediction and enables ML-guided directed evolution with enhanced efficiency. Using MODIFY, we engineer generalist biocatalysts derived from a thermostable cytochrome c to achieve enantioselective C-B and C-Si bond formation via a new-to-nature carbene transfer mechanism, leading to biocatalysts six mutations away from previously developed enzymes while exhibiting superior or comparable activities. These results demonstrate MODIFY's potential in solving challenging enzyme engineering problems beyond the reach of classic directed evolution. The effective design of cold-start enzyme libraries to balance fitness and diversity enables access to enzyme variants that are readily evolvable and close to the optima in the fitness landscape. Here, the authors develop MODIFY (machine learning-optimized library design with improved fitness and diversity), a machine learning algorithm to co-optimize expected fitness and sequence diversity of starting libraries, enhancing the efficiency of directed evolution in enzyme engineering. [ABSTRACT FROM AUTHOR]

Ionizable lipid nanoparticles (LNPs) are seeing widespread use in mRNA delivery, notably in SARS-CoV-2 mRNA vaccines. However, the expansion of mRNA therapies beyond COVID-19 is impeded by the absence of LNPs tailored for diverse cell types. In this study, we present the AI-Guided Ionizable Lipid Engineering (AGILE) platform, a synergistic combination of deep learning and combinatorial chemistry. AGILE streamlines ionizable lipid development with efficient library design, in silico lipid screening via deep neural networks, and adaptability to diverse cell lines. Using AGILE, we rapidly design, synthesize, and evaluate ionizable lipids for mRNA delivery, selecting from a vast library. Intriguingly, AGILE reveals cell-specific preferences for ionizable lipids, indicating tailoring for optimal delivery to varying cell types. These highlight AGILE's potential in expediting the development of customized LNPs, addressing the complex needs of mRNA delivery in clinical practice, thereby broadening the scope and efficacy of mRNA therapies. In this work, the authors develop a platform called AGILE or AI Guided Ionizable Lipid Engineering, which streamlines ionizable lipid development. Using AGILE, they rapidly design, synthesize, and evaluate ionizable lipids for mRNA delivery. [ABSTRACT FROM AUTHOR]

Src homology‐2 (SH2) domain‐containing phosphatase‐2 (SHP2), the first protooncogenic phosphatase is a key mediator in the development and progression of various cancers. Several allosteric sites have been identified in SHP2, inhibitors of which are being developed. In the current study, we have designed and synthesized a library of 21 thioacetamide‐tethered thiadiazole‐1,2,4‐triazole hybrids (compounds 16–36) and evaluated their in vitro SHP2 inhibitory potential. Compound 28 (N‐(5‐(benzo[d][1,3]dioxol‐5‐yl)‐1,3,4‐thiadiazol‐2‐yl)‐2‐((5‐(4‐methoxyphenyl)‐4H‐1,2,4‐triazol‐3‐yl)thio)acetamide) emerged as the most potent SHP2 inhibitor (IC50=0.318±0.001 μM) inhibiting the enzyme in a mixed to non‐competitive manner. In silico studies revealed that the lead inhibitor strongly binds to the tunnel allosteric site of SHP2. Further, cytotoxicity studies revealed that compound 28 caused death of SHP2‐driven MCF‐7 (GI50=37.02±0.25 μM) and U87MG cells (GI50=68.69±0.21 μM) in a dose‐dependent manner and inhibited MCF‐7 cell colony formation and migration. Flow cytometric analysis showed that it exerted its antiproliferative effect on U87MG cells by inducing early apoptosis (Q2 phase) and inhibiting cell cycle progression at the G1 and S phase. Compound 28 was shown to increase oxidative stress in the U87 cells by promoting ROS generation and loss of mitochondrial integrity. In summary, the present study produced a potent SHP2 inhibitor (compound 28) with a promising in vitro cytotoxicity profile, thus meriting further investigation. [ABSTRACT FROM AUTHOR]

Stellar spectral template libraries play an important role in the automated analysis of stellar spectra. Synthetic template libraries cover a very large parameter space but suffer from poor matching with observed spectra. In this study, we propose a synthetic-to-observed spectral translation (SOST) method based on generative adversarial networks. The SOST method is able to calibrate synthetic spectra by converting them to the corresponding observed spectra. We applied this method to Kurucz synthetic spectra and observed spectra data from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST). After that, we constructed a stellar spectral library with uniform and broad parameter distributions using the SOST-corrected Kurucz synthetic spectra. Our stellar spectral template library contains 2431 spectra spanning a parameter space of 3500–8000 K for effective temperature (Teff), 0.0–5.0 dex for surface gravity (log g), and −2.0–0.5 dex for metallicity ([Fe/H]). The spectra in the library have a resolution of R ∼ 1800 and cover the wavelength range 3900–8700 Å. In order to verify the accuracy of this template library, we used the template library and the template-matching algorithm to derive the parameters of the PASTEL database. Compared to measurements using the original synthetic template library, the accuracies of the three parameters, Teff, log g, and [Fe/H], are improved, from 140 K, 0.31 dex, and 0.21 dex to 121 K, 0.26 dex, and 0.13 dex, respectively. In addition, we re-parameterised more than six million stellar spectra released by LAMOST DR8. [ABSTRACT FROM AUTHOR]

A new strategy for the synthesis of 3‐substituted phthalides has been developed via a Lewis acid‐catalyzed intramolecular ring opening of aziridines with esters. Broad substrate scope, good yields and mild conditions made the cyclization reaction very suitable for the rapid construction of libraries of 3‐substituted phthalide compounds. [ABSTRACT FROM AUTHOR]

During COVID-19, the authenticity and degree of marketing information services at Al-Balqa Applied University Center (Salt) confronted various challenges in obtaining information sources. This study however aimed at examining those issues and challenges using a questionnaire designed for library patrons. Based on the findings, the library should take a further step ahead by developing plans and strategies to boost the level of techniques to offer services to users and to expand continuous training programs. The limitations of the library and its services in this area are reflected in the problems that the community customers experience. The study also aimed at examining the library's potential role in marketing services, which was represented in the educational process and scientific research to develop and interact with worldwide quality standards as well as the implementation of local environmental laws. [ABSTRACT FROM AUTHOR]

Designing and developing inhibitors against the epigenetic target DNA methyltransferase (DNMT) is an attractive strategy in epigenetic drug discovery. DNMT1 is one of the epigenetic enzymes with significant clinical relevance. Structure-based de novo design is a drug discovery strategy that was used in combination with similarity searching to identify a novel DNMT inhibitor with a novel chemical scaffold and warrants further exploration. This study aimed to continue exploring the potential of de novo design to build epigenetic-focused libraries targeted toward DNMT1. Herein, we report the results of an in-depth and critical comparison of ligand- and structure-based de novo design of screening libraries focused on DNMT1. The newly designed chemical libraries focused on DNMT1 are freely available on GitHub. [ABSTRACT FROM AUTHOR]

It is the task of libraries to contribute as efficiently as possible to satisfy the needs of society and science for qualified information. Creating the structural, organisational, and other prerequisites for this requires financial expenditure from the public sector. This is only possible if the tasks of libraries are recognised by society and politicians, and public officials are persuaded to create the legal and financial conditions. The author's experiences in Freiburg i. Br., Karlsruhe, and Göttingen and in the national and international library associations are analysed. [ABSTRACT FROM AUTHOR]

In the 21st century, academic and research libraries are of central importance for education and research. They operate as providers for information infrastructure services and offer a wide range of knowledge resources. 15 large academic libraries have joined with the German Library Association to design and develop the communication campaign WEITER WISSEN. The aim of this campaign is to make the social relevance of academic libraries, their tasks, and functions visible. This article provides an insight into the aims and implementation of the campaign and shows how academic and research libraries can use the campaign for their own public relations. Furthermore, the article uses the topic of the "Research Data Act" to show how libraries and associations can represent their interests towards politics with statements and exchange formats. [ABSTRACT FROM AUTHOR]

Foodborne diseases are major public health problems globally. Metagenomics has emerged as a widely used tool for pathogen screening. In this study, we conducted an updated Tn5 transposase-assisted RNA/DNA hybrid co-tagmentation (TRACE) library construction approach. To address the detection of prevalent known foodborne viruses and the discovery of unknown pathogens, we employed both specific primers and oligo-T primers during reverse transcription. The method was validated using clinical samples confirmed by RT-qPCR and compared with standard RNA-seq library construction methods. The mapping-based approach enabled the retrieval of nearly complete genomes (>95%) for the majority of virus genome segments (86 out of 88, 97.73%), with a mean coverage depth of 21,494.53× (ranging from 77.94× to 55,688.58×). Co-infection phenomena involving prevalent genotypes of Norovirus with Astrovirus and Human betaherpesvirus 6B were observed in two samples. The updated TRACE-seq exhibited superior performance in viral reads percentages compared to standard RNA-seq library preparation methods. This updated method has expanded its target pathogens beyond solely Norovirus to include other prevalent foodborne viruses. The feasibility and potential effectiveness of this approach were then evaluated as an alternative method for surveilling foodborne viruses, thus paving the way for further exploration into whole-genome sequencing of viruses. [ABSTRACT FROM AUTHOR]

Building information modeling (BIM) has recently become more popular in historical buildings as a method to rebuild their geometry and collect relevant information. Heritage BIM (HBIM), which combines high-level data about surface conditions, is a valuable tool for conservation decision-making. However, implementing BIM in heritage has its challenges because BIM libraries are designed for new constructions and are incapable of accommodating the morphological irregularities found in historical structures. This article discusses an architecture survey workflow that uses TLS, imagery, and deep learning algorithms to optimize HBIM for the conservation of the Nabatean built heritage. In addition to creating new resourceful Nabatean libraries with high details, the proposed approach enhanced HBIM by including two data outputs. The first dataset contained the TLS 3D dense mesh model, which was enhanced with high-quality textures extracted from independent imagery captured at the optimal time and location for accurate depictions of surface features. These images were also used to create true orthophotos using accurate and reliable 2.5D DSM derived from TLS, which eliminated all image distortion. The true orthophoto was then used in HBIM texturing to create a realistic decay map and combined with a deep learning algorithm to automatically detect and draw the outline of surface features and cracks in the BIM model, along with their statistical parameters. The use of deep learning on a structured 2D true orthophoto produced segmentation results in the metric units required for damage quantifications and helped overcome the limitations of using deep learning for 2D non-metric imagery, which typically uses pixels to measure crack widths and areas. The results show that the scanner and imagery integration allows for the efficient collection of data for informative HBIM models and provide stakeholders with an efficient tool for investigating and analyzing buildings to ensure proper conservation. [ABSTRACT FROM AUTHOR]

Objective: Executive dysfunction is a core symptom of vascular cognitive impairment (VCI), which seriously affects patients' prognosis. This paper aims to investigate the effectiveness of rTMS on executive function in VCI. Methods: The databases selected for this study included Pubmed, Embase, Cochrane Library, China National Knowledge Infrastructure (CNKI), Wanfang, China Science and Technology Journal Database (VIP), and China Biology Medicine Disc (CBM). The screening times were conducted from the time of library construction until August 23, 2023. The inclusion criteria for this metaanalysis were randomized controlled trials (RCTs) on rTMS for VCI, which include executive function scores. The primary metrics were executive subscale scores of the Cognitive Comprehensive Scale and total scores of the Executive Specificity Scale. The secondary metrics were subscale scores of the Executive Specificity Scale. The quality of each eligible study was assessed using the Cochrane Risk of Bias tool. Meta-analysis and bias analysis were performed using Stata (version 16.0) and RevMan (version 5.3). Results: A total of 20 high-quality clinical RCTs with 1,049 samples were included in this paper. The findings from the primary outcomes revealed that within the rTMS group, there were significantly higher scores observed for the executive sub-item on the cognitive composite scale (SMD = 0.93, 95% CI = 0.77-1.08, p < 0.00001, I2 = 14%) and the total score on the executive specific scale (SMD = 0.69, 95% CI = 0.44-0.94, p < 0.00001, I2 = 0%) compared to the control group. As for the secondary outcome measures, as shown by the Trail Making Test-A (time) (MD = -35.75, 95% CI = -68.37 to -3.12, p = 0.03, I2 = 55%), the Stroop-C card (time) (SMD = -0.46, 95% CI = -0.86 to -0.06, p = 0.02, I2 = 0%) and the Stroop-C card (correct number) (SMD = 0.49, 95% CI = 0.04-0.94, p = 0.03, I2 = 0%), the experimental group shorts time and enhances accuracy of executive task in comparison to the control group. Subgroup analysis of the main outcome demonstrated that intermittent theta burst stimulation (iTBS), higher frequency, lower intensity, longer duration, and combined comprehensive therapy exhibited superior efficacy. Conclusion: rTMS is effective in the treatment of the executive function of VCI. The present study has some limitations, so multi-center, large-sample, objective indicators and parameters are needed to further explore in the future. [ABSTRACT FROM AUTHOR]

Background: This systematic review and meta-analysis aims to investigate the effects of virtual reality (VR) exercise compared to traditional rehabilitation on pain, function, and muscle strength in patients with knee osteoarthritis (KOA). Additionally, the study explores the mechanisms by which VR exercise contributes to the rehabilitation of KOA patients. Methods: We systematically searched PubMed, the Cochrane Library, Embase, Web of Science, Scopus, and PEDro according to the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. Our search spanned from the library construction to 24 May 2024, focusing on randomized controlled trials Primary outcomes included pain, Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC), and muscle strength. Meta-analysis was conducted using RevMan (version 5.4) and Stata (version 14.0). The bias risk of included studies was assessed using the Cochrane RoB 2.0 tool, while the quality of evidence was evaluated using the Grading of Recommendations, Assessment, Development, and Evaluation (GRADE) approach. Results: This meta-analysis and systematic review included nine studies involving 456 KOA patients. The results indicated that VR exercise significantly improved pain scores (SMD, -1.53; 95% CI: -2.50 to -0.55; p = 0.002), WOMAC total score (MD, -14.79; 95% CI: -28.26 to -1.33; p = 0.03), WOMAC pain score (MD, -0.93; 95% CI: -1.52 to -0.34; p = 0.002), knee extensor strength (SMD, 0.51; 95% CI: 0.14 to 0.87; p = 0.006), and knee flexor strength (SMD, 0.65; 95% CI: 0.28 to 1.01; p = 0.0005), but not significantly forWOMAC stiffness (MD, -0.01; 95% CI: -1.21 to 1.19; p = 0.99) and physical function (MD, -0.35; 95% CI: -0.79 to -0.09; p = 0.12). Conclusion: VR exercise significantly alleviates pain, enhances muscle strength and WOMAC total score in KOA patients, but improvements in joint stiffness and physical function are not significant. However, the current number of studies is limited, necessitating further research to expand on the present findings. [ABSTRACT FROM AUTHOR]

Due to the rapid development of internet technology, knowledge acquisition has become more convenient and efficient in network operations. University libraries serve as important resources for readers to acquire knowledge, and online resources and services in libraries have become the main direction for readers to acquire knowledge at present. Research the use of binary K-means clustering algorithm and library reader portrait technology to optimize the design of the reader portrait module and construct a multidimensional and multi perspective reader feature system. Reuse Spark programming language and support vector machine to perform computational processing on reader profile data to ensure accurate segmentation of the dataset. Finally, three datasets were used to test the accuracy and efficiency of the algorithm. The experimental comparison shows that the mining and precision segmentation of parallel SVM on the dataset are 93.20%, 85.16%, and 79.35% on the sample set, respectively, in order to optimize the mining performance of the data. The MD multi view binary K-means algorithm has a total Mahalanobis distance of 3.543, 5.268, and 22.385 on the sample dataset, respectively, to demonstrate its superiority in clustering performance. Therefore, the multi view binary K-means algorithm based on Mahalanobis distance has high advantages in reader portrait technology design, and provides technical support and theoretical reference for library reader portrait technology. [ABSTRACT FROM AUTHOR]

In the offensive operations of the red and blue sides, in order to fully seize the battlefield air superiority, the blue side air defense fire units are usually taken as the first key targets. Therefore, it is of great significance to accurately predict the activity law of the blue side air defense fire units and scientifically design the joint reconnaissance and attack actions. Firstly, the maneuver support mode adopted by the air defense fire unit is systematically analyzed, the defense capability calculation formula is given based on the definition of defense capability, and the grid network model is introduced to complete the quantitative calculation. Based on the support scope constraint, position resource constraint and maneuver process constraint, the shortest maneuver route and the highest defense capability are taken as the optimization objectives for the actual support requirements. A prediction model for maneuvering route of ground air defense fire units is established. Secondly, aiming at the problem of solving the nonlinear model, the model linearization transformation and solving method are proposed. Then, on the basis of the optimal transfer route, an algorithm for constructing maneuver route library is designed to generate the probabilistic prediction scheme of blue side maneuver route and analyze the maneuver law of blue side air defense fire units. Finally, based on the case simulation, the feasibility and global efficiency of the designed model and method are verified, which can effectively predict the maneuvering route of blue side anti-aircraft fire units. [ABSTRACT FROM AUTHOR]

Antibodies and antibody-based immunotherapeutics are the mainstays of cancer immunotherapy. Expanding the repertoire of cancer-specific and cancer-associated epitopes targetable with antibodies represents an important area of research. Phage display is a powerful approach allowing the use of diverse antibody libraries to be screened for binding to a wide range of targets. In this review, we summarize the basics of phage display technology and highlight the advances in anticancer antibody identification and modification via phage display platform. Finally, we describe phage display-derived anticancer monoclonal antibodies that have been approved to date or are in clinical development. • Concise review of principles of phage display technology. • Various approaches for library construction and selection strategies. • Antibody engineering via phage display technology. • Ab formats, guided selection, humanization, affinity maturation, Ab developability. • Current landscape of anticancer antibodies derived from phage display technology. [ABSTRACT FROM AUTHOR]

Library spaces play a crucial role in fostering user engagement, particularly for students in academic settings by creating welcoming environment that blend inspiring spaces with engaging resources and programming, academic libraries can make significant contributions to overall student engagement. This study employed descriptive regression research design to determine the influence of library space design on student engagement. A total number of 100 students from selected schools in Regions XI and XII were the respondents of the study using convenience sampling technique. Mean and simple linear regression analysis were employed to analyze the data. The findings showed that student's level of perception towards library space design was very high while level of user engagement was found to be high. Among the indicators of library space design, aesthetics and atmosphere got the highest mean ratings while on the aspect of user engagement, library visits yielded the highest mean rating. Moreover, the results showed that student's perception on the library space design influence user engagement. Base on the findings it is recommended that the school administrators should prioritize allocating adequate resources for continuous library space renovation, conduct comprehensive assessments to library personnel and users, and streamlining access to library resources to meet expectations of students who are comfortable with technology. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Catalytic and green strategies for the synthesis of privileged scaffolds are synthetically appealing. We now report a radical‐polar crossover (RPC)‐enabled three‐component cyclization of bromodifluoroalkyls with enaminones and 6‐aminouraciles via a visible‐light‐induced domino cyclization. The reaction exhibited a broad substrate scope (> 40 examples) including complex molecules, which highlighted the utility of this strategy for the construction of a library of bioactive analogs. [ABSTRACT FROM AUTHOR]

Light plays a key role in shaping the quality and atmosphere of interior spaces, and its importance and contradictions are amplified in the design of libraries. This study focuses on the problems associated with both insufficient natural light and excessive light. In both cases, visual discomfort is the result. The reason for these problems lies in the use of translucent structures with different parameters and properties in library architecture. This study analyzed the lighting environment in the main reading rooms of two university libraries in Warsaw. The research methods were based on a field survey of objects and an analysis of the architectural and construction parameters of the premises, as well as the physical and mechanical properties of various types of translucent materials used in the reading rooms. The results of this study shed light on the relationship between the interior space of the reading room and the geometry of transparent structures, as well as the effectiveness of daylighting in libraries in the natural conditions of Warsaw. The key point of the present study was to recognize the critical role that transparent materials and structures play in mitigating potential operational problems in library spaces. Wise selection of these elements at the design stage can help minimize problems related to thermal energy regulation, ventilation control, acoustic insulation, and increased visual comfort. The importance of this research area lies in its potential to optimize library buildings by increasing energy efficiency and reducing reliance on artificial lighting, heating, and air conditioning. Careful consideration of transparent materials at the design stage promises long-term benefits in the form of sustainable library spaces that not only meet functional requirements, but also contribute to a more environmentally conscious architectural landscape. [ABSTRACT FROM AUTHOR]

In distributed deep learning, the improper use of the collective communication library can lead to a decline in deep learning performance due to increased communication time. Representative collective communication libraries such as MPI, GLOO, and NCCL exhibit varying performance based on server environment and communication architecture. In this study, we investigate three key aspects to evaluate the performance of the collective communication libraries in a distributed deep learning setting in an intra-node environment. First, we conduct a comparison and analysis of collective communication library performance within common distributed deep learning architectures, such as parameter servers and ring all-reduce methods. Second, we evaluate the performance of these libraries in different environments, including various container platforms and bare metal setups, considering the scalability and flexibility advantages offered by cloud virtualization. Last, to ensure practicality, we assess the libraries' performance in a Linux shell and within the PyTorch framework. In the cross-docker virtualization environment, NCCL shows up to 213% higher latency compared to single docker, while GLOO exhibits 36% lower latency in single docker than in cross docker, and NCCL achieves up to 345% lower execution time in all-reduce operations compared to other libraries (MPI and GLOO). These findings will inform the selection of an appropriate collective communication library for designing effective distributed deep learning environments. [ABSTRACT FROM AUTHOR]

Motivation Integrative Biomedicl Informatics, Research Program on Biomedical Informatics (IBI - GRIB), Hospital Del Mar Medical Research Institute (IMIM), Department of Experimental and Health Sciences, Universitat Pompeu Fabra (UPF) C/ del Dr. Aiguader 88 Barcelona 08003 Spain. Understanding the genetic basis of complex diseases is one of the main challenges in modern genomics. However, current tools often lack the versatility to efficiently analyze the intricate relationships between genetic variations and disease outcomes. To address this, we introduce Genopyc, a novel Python library designed for comprehensive investigation of how the variants associated to complex diseases affects downstream pathways. Genopyc offers an extensive suite of functions for heterogeneous data mining and visualization, enabling researchers to delve into and integrate biological information from large-scale genomic datasets. Results In this work, we present the Genopyc library through application to real-world genome wide association studies variants. Using Genopyc to investigate the functional consequences of variants associated to intervertebral disc degeneration enabled a deeper understanding of the potential dysregulated pathways involved in the disease, which can be explored and visualized by exploiting the functionalities featured in the package. Genopyc emerges as a powerful asset for researchers, facilitating the investigation of complex diseases paving the way for more targeted therapeutic interventions. Availability and implementation Genopyc is available on pip https://pypi.org/project/genopyc/.The source code of Genopyc is available at https://github.com/freh-g/genopyc. A tutorial notebook is available at https://github.com/freh-g/genopyc/blob/main/tutorials/Genopyc%5ftutorial%5fnotebook.ipynb. Finally, a detailed documentation is available at: https://genopyc.readthedocs.io/en/latest/. [ABSTRACT FROM AUTHOR]

Quantitative trait locus (QTL) mapping and genetic map are of great significance for ornamental sunflowers in China. In this study, a total of 956.50 Mbp data were obtained, the average Q30 was 93.76%, the average GC content was 42.43%, and the GC distribution of the parents and F2 population of the ornamental sunflowers was normal. At the same time, the double-end comparison efficiency of control data was 90.28%, and the enzyme digestion efficiency was 92.01%. The Specific-Locus Amplified Fragment (SLAF) library construction was normal. Furthermore, a total of 734,893 SLAF markers were obtained, among which 127,855 were polymorphic SLAF markers and 38,908 could be used for genetic map construction, and the effective polymorphism of the parents was 5.29%. Moreover, we constructed a total of 17 linkage groups, with 6181 markers in the QTL mapping, the total map distance was 2608.66 cM, the marker integrity in the figure above was 99%, the proportion of double exchange was 0.05, the sequencing depth of the parents was 42.455 × , and the progeny was 9.24 ×. The relationship of traits (plant height, stem diameter, disk diameter, number of petals, leaf number, stigma color, petal color, petiole color) and QTL mapping was closely related to show the best of ornamental effect. [ABSTRACT FROM AUTHOR]

Design thinking has emerged in library science as a process to develop user-centered services, programs, and physical spaces. Design thinking is a nonlinear, human-centered process for problem-solving that allows for iterative work in collaborative settings. Different definitions of design thinking exist, but the underlying concept is the same: talk to your customers/users, consider their needs, and implement change accordingly. Stanford's d.school presents five nonlinear stages of design thinking: empathize, define, ideate, prototype, and test, a process used in architecture, engineering, and graphic and industrial design. It was first introduced to academic libraries in 2007 and further enhanced by IDEO's "Design Thinking for Libraries," a toolkit developed through support from the Gates Foundation. Since then, design thinking has led to the development of an ideation space at University of Oregon's Knights Library and youth activities at the Seattle Public Library, to name a few. However, design thinking has been criticized as a reductive method advertised to company executives as a magic wand for innovation. Library and information science professionals have also expressed criticism, citing concerns that the practice is nothing more than a passing fad. Nonetheless, many industries implement design thinking for creative problem solving, transformative change, and to foster innovation. This article analyzes design thinking in library settings through research that includes surveys and interviews with members of the American Library Association. We identify current uses of design thinking in libraries, investigate the nature of current implementations of design thinking, and provide recommendations for future design thinking projects in libraries. [ABSTRACT FROM AUTHOR]

Currently, university students are facing high levels of stress and negativity. Creating a campus learning environment that promotes students' physical and mental health and well-being has become a key focus of current research. There is now a wealth of research proving that the natural attributes of learning spaces are highly restorative for university students, both physically and mentally. In order to comprehensively clarify the characteristics of the library spatial environment that has a restorative effect on university students, this paper conducted semi-structured interviews with 50 university students and thematically analyzed the data obtained from these interviews. Ultimately, we identified five key themes: (1) Being away: students believe that studying alone is a way to escape social pressures, immersing themselves in their studies helps them forget everything around them, and the view from the window creates a sense of detachment; (2) Extent: students perceive the design of the library space as rich and orderly; (3) Fascination: many elements of the library spatial environment appeal to them and make them feel energized. The overall atmosphere motivates them to engage more actively in their learning; (4) Compatibility: the library spatial environment provides a variety of facilities that meet their learning needs, along with various types of spaces catering for different behaviors; and (5) Biophilia: Many interviewees mentioned the benefits of natural environments and timber, as well as their preference for spaces with a sufficient sense of enclosure and the ability to observe others. The first four themes were found to be closely related to the Attention Restorative Theory during the course of the study, while the last theme was mentioned by most of the students. The results of this study prove that library spaces can be described as restorative environments in the same way as natural environments, with both physical and mental restorative effects. Furthermore, the results of this study can also provide certain ideas for the design and renovation of the internal spatial environment of university libraries. [ABSTRACT FROM AUTHOR]

Despite advances in active drug targeting for blood-brain barrier penetration, two key challenges persist: first, attachment of a targeting ligand to the drug or drug carrier does not enhance its brain biodistribution; and second, many brain diseases are intricately linked to microcirculation disorders that significantly impede drug accumulation within brain lesions even after they cross the barrier. Inspired by the neuroprotective properties of vinpocetine, which regulates cerebral blood flow, we propose a molecular library design centered on this class of cyclic tertiary amine compounds and develop a self-enhanced brain-targeted nucleic acid delivery system. Our findings reveal that: (i) vinpocetine-derived ionizable-lipidoid nanoparticles efficiently breach the blood-brain barrier; (ii) they have high gene-loading capacity, facilitating endosomal escape and intracellular transport; (iii) their administration is safe with minimal immunogenicity even with prolonged use; and (iv) they have potent pharmacologic brain-protective activity and may synergize with treatments for brain disorders as demonstrated in male APP/PS1 mice. Despite advances in active drug-targeting for blood-brain barrier penetration, challenges related to brain biodistribution, and drug accumulation persist. Here the authors show a molecular library design centered on cyclic tertiary amine compounds and develop a self-enhanced brain-targeted nucleic acid delivery system inspired by the neuroprotective properties of vinpocetine. [ABSTRACT FROM AUTHOR]

Purpose: A systematic evaluation and Meta-analysis were performed to determine the relationship between IL-17A levels in ocular aqueous and peripheral venous serum samples and diabetic retinopathy (DR). Methods: PubMed, Embase, Web of Science, and CNKI databases were searched from the time of library construction to 2023-09-20. The results were combined using a random-effects model, sensitivity analyses were performed to determine whether the arithmetic was stable and reliable, and subgroup analyses were used to look for possible sources of heterogeneity. Results: A total of 7 case-control studies were included. The level of IL-17A was higher in the Nonproliferative DR(NPDR) group than in the Non-DR(NDR) group [SMD=2.07,95%CI(0.45,3.68), P=0.01], and the level of IL-17A in the proliferating DR(PDR) group was higher than that of the NDR group [SMD=4.66,95%CI (1.23,8.08),P<0.00001]. IL-17A levels in peripheral serum and atrial fluid were significantly higher in NPDR and PDR patients than in non-DR patients in subgroup analyses, and detection of peripheral serum IL-17A concentrations could help to assess the risk of progression from NPDR to PDR. Sensitivity analyses suggested that the results of the random-effects arithmetic were stable and reliable. Subgroup analyses based on assay method and sample source showed that the choice of these factors would largely influence the relationship between IL-17A levels and DR. Conclusion: Elevated peripheral serum and ocular aqueous humor IL-17A levels in diabetic patients are associated with the risk of DR, IL-17A may serve as a potential predictor or therapeutic target for DR, and IL-17A may be an important predictor of inflammation for the progression of NPDR to PDR. [ABSTRACT FROM AUTHOR]

Modeling realistic human skin with pores and wrinkles down to the milli‐ and micrometer resolution is a challenging task. Prior work showed that such micro geometry can be efficiently generated through simulation methods, or in specialized cases via 3D scanning of real skin. Simulation methods allow to highly customize the wrinkles on the face, but can lead to a synthetic look. Scanning methods can lead to a more organic look for the micro details, however these methods are only applicable to small skin patches due to the required image resolution. In this work we aim to overcome the gap between synthetic simulation and real skin scanning, by proposing a method that can be applied to large skin regions (e.g. an entire face) with the controllability of simulation and the organic look of real micro details. Our method is based on style transfer at its core, where we use scanned displacement maps of real skin patches as style images and displacement maps from an artist‐friendly simulation method as content images. We build a library of displacement maps as style images by employing a simplified scanning setup that can capture high‐resolution patches of real skin. To create the content component for the style transfer and to facilitate parameter‐tuning for the simulation, we design a library of preset parameter values depicting different skin types, and present a new method to fit the simulation parameters to scanned skin patches. This allows fully‐automatic parameter generation, interpolation and stylization across entire faces. We evaluate our method by generating realistic skin micro details for various subjects of different ages and genders, and demonstrate that our approach achieves a more organic and natural look than simulation alone. [ABSTRACT FROM AUTHOR]

Purpose. The aim of this paper is to emphasize the importance of strengthening librarians' competencies in working with older adults, using the example of the „65 plus" project by the Zagreb City Libraries. Methodology. The research was conducted among librarians participating in the „65 plus" project from October 25th to November 5th, 2022, using a survey method and an online questionnaire. The questionnaire consisted of 28 open and closed-type questions and was completed by 38 respondents, representing 69 % of the target group. The research examined librarians' attitudes towards the necessary competencies for working with older adults, self-assessment of their competencies and sensitivity to the needs of older adults in general, the importance of lifelong learning and ways to acquire the knowledge and skills needed to work with this user group. Results. The research results show that the respondents consider themselves competent to work with older adults and believe that continuous education is necessary for providing quality service and development of new programmes, indicating that they are personally and professionally motivated to participate in the project. The most important general competencies necessary for working with older adults highlighted by the respondents are ethics, communication skills and the ability to adapt to new situations. The most important professional competencies are eff ectively providing information to meet user needs, the ability to teach users and the ability to provide and develop (new) services for users. Practical implications. The research results can help other public libraries in designing programmes, developing the competencies of their employees working in the reference and information service and improving services for older adults....Originality/Value. This paper presents the results of the fi rst research on the attitudes of librarians involved in the implementation of the „65 plus" project regarding the importance of various competencies and lifelong education for designing and implementing quality programmes for older adults. [ABSTRACT FROM AUTHOR]

Background: The rapid evolution, complexity, and specialization of oncology treatment makes it challenging for physicians to provide care based on the latest and best evidence. We hypothesized that physicians would use evidence-based trusted care pathways if they were easy to use and integrated into clinical workflow at the point of care. Methods: Within a large integrated care delivery system, we assembled clinical experts to define and update drug treatment pathways, encoded them as flowcharts in an online library integrated with the electronic medical record, communicated expectations that clinicians would use these pathways for every eligible patient, and combined data from multiple sources to understand usage over time. Results: We were able to achieve > 75% utilization of eligible protocols ordered through these pathways within two years, with > 90% of individual oncologists having consulted the pathway at least once, despite no requirements or external incentives associated with pathway usage. Feedback from users contributed to improvements and updates to the guidance. Conclusions: By making our clinical decision support easily accessible and actionable, we find that we have made considerable progress toward our goal of having physicians consult the latest evidence in their treatment decisions. [ABSTRACT FROM AUTHOR]

In this article we describe the implementation of Freeform Optics Raytracer with Manufacturable Imaging Design cApaBiLitiEs (FORMIDABLE): an optical design library capable of simulating optical systems by ray-tracing. Optical performance can be quantified and optimised using third-party optimisation algorithms. Compared to available commercial optical design software and similarly to fast accurate NURBS optimization (FANO), our code can simulate and optimise Non-uniform rational B-Spline (NURBS). It also implements generalized differential capabilities that allows faster convergence compared to state-of-the-art. The implementation of FORMIDABLE and its innovative capabilities are described and illustrated with a representative case-study. The source code is available to eligible third-parties under the ECSL licence. [ABSTRACT FROM AUTHOR]

Systematic evolution of ligands by exponential enrichment (SELEX) has been used to discover thousands of aptamers since its development in 1990. Aptamers are short single‐stranded oligonucleotides capable of binding to targets with high specificity and selectivity through structural recognition. While aptamers offer advantages over other molecular recognition elements such as their ease of production, smaller size, extended shelf‐life, and lower immunogenicity, they have yet to show significant success in real‐world applications. By analyzing the importance of structured library designs, reviewing different SELEX methodologies, and the effects of chemical modifications, we provide a comprehensive overview on the production of aptamers for applications in drug delivery systems, therapeutics, diagnostics, and molecular imaging. [ABSTRACT FROM AUTHOR]

Here, we demonstrate that the first example of harmaline scaffolds serving as acceptor/acceptor-based N-C-C synthons triggered the ring opening and skeletal reconstruction of 3-vinyl benzofuranones for the construction of a library of skeletally diverse polycyclic harmaline scaffolds. These products were smoothly afforded in up to 77% yield, 420: 1 dr under catalyst-free conditions, and expanded the chemical space of biologically significant harmaline derivative species. All synthetic compounds showed cytotoxic activity against tumor cells, especially compound 3at, which exhibited selective cytotoxicity against A549 cells and lower cytotoxicity against normal cells MRC-5 and HK-2. In further mechanism research, 3at inhibited A549 cell proliferation through the G1 phase arrest, induced A549 cell apoptosis through internal and external apoptosis pathways, and suppressed the migration and invasion abilities of A549 cells. These data indicated that compound 3at is the most effective compound in the series and can serve as a promising precursor for drug development. [ABSTRACT FROM AUTHOR]