Synergizing quantum techniques with machine learning for advancing drug discovery challenge.

The Quantum Computing for Drug Discovery Challenge, held at the 42nd International Conference on Computer-Aided Design (ICCAD) in 2023, was a multi-month, research-intensive competition. Over 70 teams from more than 65 organizations from 12 different countries registered, focusing on the use of quantum computing for drug discovery. The challenge centered on designing algorithms to accurately estimate the ground state energy of molecules, specifically OH+, using quantum computing techniques.

Optimizing adult-oriented artificial intelligence for pediatric chest radiographs by adjusting operating points.

The purpose of this study was to evaluate whether the optimal operating points of adult-oriented artificial intelligence (AI) software differ for pediatric chest radiographs and to assess its diagnostic performance. Chest radiographs from patients under 19 years old, collected between March and November 2021, were divided into test and exploring sets. A commercial adult-oriented AI software was utilized to detect lung lesions, including pneumothorax, consolidation, nodule, and pleural effusion, using a standard operating point of 15%.

Dual-fluorescent starch biopolymer films containing 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine powder as a functional nanofiller.

Physical and photophysical properties of starch-based biopolymer films containing 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine (NTA) powder as a nanofiller were examined using atomic force microscopy (AFM), Fourier-transform infrared spectroscopy (FTIR), stationary UV-Vis and fluorescence spectroscopy as well as resonance light scattering (RLS) and time-resolved measurements, and where possible, analyzed with reference to pristine NTA solutions. AFM studies revealed that the addition of NTA into the starch biopolymer did not significantly affect surface roughness, with all examined films displaying similar Sq values ranging from 70.7 nm to 79.

A reinforcement learning approach to effective forecasting of pediatric hypoglycemia in diabetes I patients using an extended de Bruijn graph.

Pediatric diabetes I is an endemic and an especially difficult disease; indeed, at this point, there does not exist a cure, but only careful management that relies on anticipating hypoglycemia. The changing physiology of children producing unique blood glucose signatures, coupled with inconsistent activities, e.g.

Nutrient loading as a key cause of short- and long-term anthropogenic ecological degradation of the Salton Sea.

The Salton Sea (SS), California's largest inland lake at 816 square kilometers, formed in 1905 from a levee breach in an area historically characterized by natural wet-dry cycles as Lake Cahuilla. Despite more than a century of untreated agricultural drainage inputs, there has not been a systematic assessment of nutrient loading, cycling, and associated ecological impacts at this iconic waterbody. The lake is now experiencing unprecedented degradation, particularly following the 2003 Quantification Settlement Agreement-the largest agricultural-to-urban water transfer in the United States.

Hand gestures classification of sEMG signals based on BiLSTM-metaheuristic optimization and hybrid U-Net-MobileNetV2 encoder architecture.

Surface electromyography (sEMG) data has been extensively utilized in deep learning algorithms for hand movement classification. This paper aims to introduce a novel method for hand gesture classification using sEMG data, addressing accuracy challenges seen in previous studies. We propose a U-Net architecture incorporating a MobileNetV2 encoder, enhanced by a novel Bidirectional Long Short-Term Memory (BiLSTM) and metaheuristic optimization for spatial feature extraction in hand gesture and motion recognition.

Comparative soil bacterial metabarcoding after aboveground vs. subsurface decomposition of Mus musculus.

Outdoor microcosms, metabarcoding with next-generation sequencing of the 16S rRNA bacterial gene, total body score (TBS) and physicochemical analyses were used to monitor Mus musculus decomposition aboveground (A) and in the subsurface (S), and compared to soil-only controls (C). As determined by MaAsLin2 analysis, significant shifts in bacterial communities at 30 cm depths within the A, S and C treatments distinguished control from experimental soils, and between aboveground and subsurface deposition, demonstrating the potential for gravesoil discrimination during the first 90 days. For example, Dokdonella (p = 0.

A novel concept of an acoustic ultrasound wearable for early detection of implant failure.

Mechanical failure of medical implants, especially in orthopedic poses a significant burden to the patients and healthcare system. The majority of the implant failures are diagnosed at very late stages and are of mechanical causes. This makes the diagnosis and screening of implant failure very challenging.

Bayesian semiparametric inference in longitudinal metabolomics data.

The article is motivated by an application to the EarlyBird cohort study aiming to explore how anthropometrics and clinical and metabolic processes are associated with obesity and glucose control during childhood. There is interest in inferring the relationship between dynamically changing and high-dimensional metabolites and a longitudinal response. Important aspects of the analysis include the selection of the important set of metabolites and the accommodation of missing data in both response and covariate values.

Conservation challenges for Brazilian primates and the role of protected areas in a changing climate.

The negative effects of land-use changes on biodiversity significantly contribute to climate change. Primates are among the animals most affected by these changes, because of their high dependence on forest cover where a lack of forest connectivity can limit their dispersal and segregate their populations. In this sense, protected areas (PAs) are crucial for conserving endangered primates, especially endemic species.

Using ERPs to unveil the authenticity evaluation and neural response to online rumors.

The rapid propagation of information in the digital epoch has brought a surge of rumors, creating a significant societal challenge. While prior research has primarily focused on the psychological aspects of rumors-such as the beliefs, behaviors, and persistence they evoke-there has been limited exploration of how rumors are processed in the brain. In this study, we experimented to examine both behavioral responses and EEG data during rumor detection.

High-throughput gene expression analysis with TempO-LINC sensitively resolves complex brain, lung and kidney heterogeneity at single-cell resolution.

We report the development and performance of a novel genomics platform, TempO-LINC, for conducting high-throughput transcriptomic analysis on single cells and nuclei. TempO-LINC works by adding cell-identifying molecular barcodes onto highly selective and high-sensitivity gene expression probes within fixed cells, without having to first generate cDNA. Using an instrument-free combinatorial indexing approach, all probes within the same fixed cell receive an identical barcode, enabling the reconstruction of single-cell gene expression profiles across as few as several hundred cells and up to 100,000 + cells per sample.

Utility of quantitative measurement of T using restriction spectrum imaging for detection of clinically significant prostate cancer.

The Restriction Spectrum Imaging restriction score (RSIrs) has been shown to improve the accuracy for diagnosis of clinically significant prostate cancer (csPCa) compared to standard DWI. Both diffusion and T properties of prostate tissue contribute to the signal measured in DWI, and studies have demonstrated that each may be valuable for distinguishing csPCa from benign tissue. The purpose of this retrospective study was to (1) determine whether prostate T varies across RSI compartments and in the presence of csPCa, and (2) evaluate whether csPCa detection with RSIrs is improved by acquiring multiple scans at different TEs to measure compartmental T (cT).

Non-catalytic glycerol dehydrogenation to dihydroxyacetone using needle-in-tube dielectric barrier discharge plasma.

Glycerol, a by-product of biodiesel production, could be converted into various value-added products. This work focuses on its dehydrogenation to dihydroxyacetone (DHA), which is mainly used in the cosmetics industry. While several methods have been employed for DHA production, some necessitate catalysts and involve harsh reaction conditions as well as long reaction times.

Concordance and test-retest consistency of sleep biomarker-based neurodegenerative disorder profiling.

Biomarkers that aid in early detection of neurodegeneration are needed to enable early symptomatic treatment and enable identification of people who may benefit from neuroprotective interventions. Increasing evidence suggests that sleep biomarkers may be useful, given the bi-directional relationship between sleep and neurodegeneration and the prominence of sleep disturbances and altered sleep architectural characteristics in several neurodegenerative disorders. This study aimed to demonstrate that sleep can accurately characterize specific neurodegenerative disorders (NDD).

Revisiting the Rytov approximation in diffuse optics and its applications for the inverse and forward problems.

We propose an overview of the Rytov approximation in diffuse optics of biological tissues, for the inverse and forward problems. First, we show a physical interpretation of the Rytov approximation as a type of partial pathlength (named fluence rate partial pathlength) which is distinct from the usual partial pathlength for reflectance measurements. Second, we study the accuracy of the Rytov approximation for the calculation of Jacobians considering absorption perturbations and reflectance measurements.

Homogeneous and bioluminescent biochemical and cellular assay for monitoring cGAMP and enzymes that generate and degrade cGAMP.

The cyclic GMP-AMP synthase-stimulator of the interferon gene (cGAS-STING) signaling pathway is considered an essential pattern recognition and effector pathway in the natural immune system and is mainly responsible for recognizing DNA molecules present in the cytoplasm and activating downstream signaling pathways to generate type I interferons (IFN-I) and other inflammatory factors. STING, a crucial junction protein in the innate immune system, exerts an essential role in host resistance to external pathogen invasion. The DNA introduced by pathogens or tumors is recognized by the cytoplasmic nucleic acid receptor cGAS, and a second messenger, cGAMP, is generated using intracellular guanosine triphosphate (GTP) and adenosine triphosphate (ATP).

Salivary extracellular vesicles isolation methods impact the robustness of downstream biomarkers detection.

Extracellular vesicles (EVs), crucial mediators in cell-to-cell communication, are implicated in both homeostatic and pathological processes. Their detectability in easily accessible peripheral fluids like saliva positions them as promising candidates for non-invasive biomarker discovery. However, the lack of standardized methods for salivary EVs isolation greatly limits our ability to study them.

Large-scale proteogenomics characterization of microproteins in Mycobacterium tuberculosis.

Tuberculosis remains a burden to this day, due to the rise of multi and extensively drug-resistant bacterial strains. The genome of Mycobacterium tuberculosis (Mtb) strain H37Rv underwent an annotation process that excluded small Open Reading Frames (smORFs), which encode a class of peptides and small proteins collectively known as microproteins. As a result, there is an overlooked part of its proteome that is a rich source of potentially essential, druggable molecular targets.

Active plasma sterilizer for planetary protection and contamination control for space missions.

This paper introduces a novel, compact plasma sterilization system, the Active Plasma Sterilizer (APS), for planetary protection space missions. The development of the APS system is done through iterative testing and design modifications aimed at addressing decontamination modalities for time and temperature, cleaning adhesive surfaces, and cleaning protocols beyond alcohol and bleach. Decontamination testing of Deinococcus radiodurans, Geobacillus stearothermophilus (spore forming bacteria), and Aspergillus fumigatus (fungi) was verified for the APS on relevant materials of 4 to 5 log reduction up to complete killing in 45 min or less.

The platelet and plasma proteome and targeted lipidome in postpartum dairy cows with elevated systemic inflammation.

Unregulated, systemic inflammation negatively impacts health and production in dairy cows. Soluble mediators and platelets have been studied for their expansive role in mediating inflammation. Our objectives were to compare the plasma oxylipin and endocannabinoid profiles, and the platelet and plasma proteomic profiles of healthy cows to cows experiencing elevated systemic inflammation as indicated by plasma haptoglobin (Hp) concentrations.

Finite element analysis of RC beams using static experimental data to predict static and dynamic behaviors.

This study comprehensively compares dynamic and static forces in reinforced concrete (RC) beams, utilising experimental and finite element analysis (FEA) methodologies. Experimental tests involve monotonic two-point loading of 1 m x 150 mm x 150 mm RC beams using a universal testing machine (UTM). Deflection measurements are taken at three distinct locations (S1-S3) using various sensors, including force resisting sensor (FRS), flex sensor (FLS), MEMS accelerometer, and Piezoelectric sensors.

Impact of COVID-19 on heart rate variability in post-COVID individuals compared to a control group.

This study investigated the impact of mild COVID-19 on HRV in groups stratified by time after infection and to compare to a healthy group of the same age without previous virus infection and without need of hospitalization. This is a cross-sectional study. We divided the sample into four groups: control group (CG) (n = 31), group 1 (G1): ≤6 weeks (n = 34), group 2 (G2): 2-6 months (n = 30), group 3 (G3): 7-12 months (n = 35) after infection.

Accelerated growth and local progression of radiorecurrent prostate cancer in an orthotopic bioluminescent mouse model.

Globally, prostate cancer is the second most common malignancy in males, with over 400 thousand men dying from the disease each year. A common treatment modality for localized prostate cancer is radiotherapy. However, up to half of high-risk patients can relapse with radiorecurrent prostate cancer, the aggressive clinical progression of which remains severely understudied.

A precision agriculture solution for water stress estimation in Hass avocado farms in Colombia.

Agriculture 4.0 technologies continue to see low adoption among small and medium-sized farmers, primarily because these solutions often fail to account for the specific challenges of rural areas. In this work, we propose and implement a design methodology to develop a Precision Agriculture solution aimed at assisting farmers in managing water stress in Hass avocado crops.