Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature.

Synthesis prediction is a key accelerator for the rapid design of advanced materials. However, determining synthesis variables such as the choice of precursor materials is challenging for inorganic materials because the sequence of reactions during heating is not well understood. In this work, we use a knowledge base of 29,900 solid-state synthesis recipes, text-mined from the scientific literature, to automatically learn which precursors to recommend for the synthesis of a novel target material.

Efficacy and safety of an HDACi- and HMA-based protocol in adults with acute myeloid leukemia of intermediate- and adverse-risk categories: a retrospective study.

Objective: Anthracyclines and cytarabine have comprised standard induction therapy for acute myeloid leukemia (AML) for decades. Low overall survival of AML is due to non-remission or relapse after remission. Hypomethylating agent (HMA) decitabine combined with low-dose chemotherapy or other targeted agents has shown promising effect for AML in clinical trials, especially in (8;21) acute myeloid leukemia.

COVIDScholar: An automated COVID-19 research aggregation and analysis platform.

The ongoing COVID-19 pandemic produced far-reaching effects throughout society, and science is no exception. The scale, speed, and breadth of the scientific community's COVID-19 response lead to the emergence of new research at the remarkable rate of more than 250 papers published per day. This posed a challenge for the scientific community as traditional methods of engagement with the literature were strained by the volume of new research being produced.

Text-mined dataset of gold nanoparticle synthesis procedures, morphologies, and size entities.

Gold nanoparticles are highly desired for a range of technological applications due to their tunable properties, which are dictated by the size and shape of the constituent particles. Many heuristic methods for controlling the morphological characteristics of gold nanoparticles are well known. However, the underlying mechanisms controlling their size and shape remain poorly understood, partly due to the immense range of possible combinations of synthesis parameters.

Dataset of solution-based inorganic materials synthesis procedures extracted from the scientific literature.

The development of a materials synthesis route is usually based on heuristics and experience. A possible new approach would be to apply data-driven approaches to learn the patterns of synthesis from past experience and use them to predict the syntheses of novel materials. However, this route is impeded by the lack of a large-scale database of synthesis formulations.

Improved catalytic activity of a novel aspartate kinase by site-directed saturation mutagenesis.

This study aimed to improve the catalytic activity of aspartate kinase (AK), the first key rate-limiting enzyme in the aspartic acid metabolism pathway, by site-directed saturation mutagenesis, and to weaken the synergistic feedback inhibition of metabolites and analyze its mechanism using molecular dynamics simulation (MD). The key residual sites around the inhibitor lysine (Lys) were selected to construct the mutant strains. The mutant A380M with significantly increased enzyme activity was obtained through enzyme activity screening.

Molecular dynamics investigation on the interaction of human angiotensin-converting enzyme with tetrapeptide inhibitors.

Angiotensin-converting enzyme (ACE) is a well-known zinc metalloenzyme whose physiological functions are vital to blood pressure regulation and management of hypertension. The development of more efficient peptide inhibitors is of great significance for the prevention and treatment of hypertension. In this research, molecular dynamics (MD) simulations were implemented to study the specific binding mechanism and interaction between human ACE (hACE) and tetrapeptides, YIHP, YKHP, YLVR, and YRHP.

Sacrificial template method for the synthesis of three-dimensional nanofibrous 58S bioglass scaffold and its in vitro bioactivity and cell responses.

Three-dimensional nanofibrous scaffolds that morphologically mimic natural extracellular matrices hold great promises in tissue engineering and regenerative medicine due to their increased cell attachment and differentiation compared with block structure. In this work, for the first time, three-dimensional porous nanofibrous 58S bioglass scaffolds have been fabricated using a sacrificial template method. During the process, a natural three-dimensional nanofibrous bacterial cellulose was used as the sacrificial template on which precursor 58S glass was deposited via a sol-gel route.

Risk factors for distal radius fracture in postmenopausal women.

Purpose: The aim of this work was to explore the risk factors for distal radius fracture in postmenopausal women.

Patients And Methods: A total of 611 postmenopausal women with distal radius fractures were included. In all, 173 patients with unstable distal radius fractures were included (unstable fracture group), while there were 438 patients with stable distal radius fractures (stable fracture group).

Mechanical properties and cytotoxicity of nanoplate-like hydroxyapatite/polylactide nanocomposites prepared by intercalation technique.

Hydroxyapatite (HAp) in the forms of fiber, needle, and whisker has been employed as fillers in polymer composites. Herein, nanoplate-like HAp synthesized by template-assisted self-assembly was used to reinforce polylactide (PLA) nanocomposites via the solution intercalation method. Dynamic and static mechanical properties and cytotoxicity of the as-prepared HAp/PLA nanocomposites were assessed in addition to characterizations by XRD, FTIR, and TGA.

VEGFR, RET, and RAF/MEK/ERK pathway take part in the inhibition of osteosarcoma MG63 cells with sorafenib treatment.

Osteosarcoma (OS) is the leading primary malignant bone tumor in children and young adults. It is response for a high mortality rate. Nowadays, few researches have been performed on sorafenib against OS and no tools are available to guide the use of sorafenib in the OS treatment.

Preparation of three-dimensional braided carbon fiber-reinforced PEEK composites for potential load-bearing bone fixations. Part I. Mechanical properties and cytocompatibility.

In this study, we focused on fabrication and characterization of three-dimensional carbon fiber-reinforced polyetheretherketone (C3-D/PEEK) composites for orthopedic applications. We found that pre-heating of 3-D fabrics before hot-pressing could eliminate pores in the composites prepared by 3-D co-braiding and hot-pressing techniques. The manufacturing process and the processing variables were studied and optimum parameters were obtained.

[Study of the morphology of heel spur and clinical significance: base on three-dimensional computed tomography].

Objectives: To evaluate the characteristic morphology of heel spur, and to investigate the relationship of heel spur and plantar heel pain.

Methods: From June 2005 to April 2009, 210 cases (254 feet) with heel spur (according to Denis Pain Scale) were divided into cases group 1 (P2, n = 46), 2 (P3, n = 44), 3 (P4, n = 42), 4 (P5, n = 36) and controls group (P1, n = 42). Three-dimensional reconstruction of heel spur was performed in all groups using volume rendering based on multi-slice CT data by Super Image orthopedics edition 1.