Evaluation of standard breast ultrasonography by adding two-dimensional and three-dimensional shear wave elastography: a prospective, multicenter trial.

OBJECTIVE: To reduce the number of biopsies performed on benign breast lesions categorized as BI-RADS 4-5, we investigated the diagnostic performance of combined two-dimensional and three-dimensional shear wave elastography (2D + 3D SWE) with standard breast ultrasonography (US) for the BI-RADS assessment of breast lesions. METHODS: A total of 897 breast lesions, categorized as BI-RADS 3-5, were subjected to standard breast US and supplemented by 2D SWE only and 2D + 3D SWE analysis. Based on the malignancy rate of less than 2% for BI-RADS 3, lesions assessed by standard breast US were reclassified with SWE assessment. RESULTS: After standard breast US evaluation, 268 (46.1%) participants underwent benign biopsies in BI-RADS 4-5 lesions. By using separated cutoffs for upstaging BI-RADS 3 at 120 kPa and downstaging BI-RADS 4a at 90 kPa in 2D + 3D SWE reclassification, 123 (21.2%) participants underwent benign biopsy, resulting in a 54.1% reduction (123 versus 268). CONCLUSION: Combining 2D + 3D SWE with standard breast US for reclassification of BI-RADS lesions may achieve a reduction in benign biopsies in BI-RADS 4-5 lesions without sacrificing sensitivity unacceptably. CLINICAL RELEVANCE STATEMENT: Combining 2D + 3D SWE with US effectively reduces benign biopsies in breast lesions with categories 4-5, potentially improving diagnostic accuracy of BI-RADS assessment for patients with breast lesions. TRIAL REGISTRATION: ChiCTR1900026556 KEY POINTS: • Reduce benign biopsy is necessary in breast lesions with BI-RADS 4-5 category. • A reduction of 54.1% on benign biopsies in BI-RADS 4-5 lesions was achieved using 2D + 3D SWE reclassification. • Adding 2D + 3D SWE to standard breast US improved the diagnostic performance of BI-RADS assessment on breast lesions: specificity increased from 54 to 79%, and PPV increased from 54 to 71%, with slight loss in sensitivity (97.2% versus 98.7%) and NPV (98.1% versus 98.7%).

From Ancient Blue Pigment to Unconventional NIR Phosphor: A Thermal-Stable Near-Infrared I/II Broadband Emission from Ca1-xSrxCuSi4O10 Solid Solution.

Phosphors used in NIR spectroscopy require broadband emission, high external quantum yield, good ability, as well as a tunable spectral range to meet the detection criteria. Two-dimensional copper silicates MCuSi4O10 (M = Ca, Sr, Ba) play an important part in ancient art and technology as synthetic blue pigments. In the recent years, these compounds were reported to show a broad near-infrared emission when excited in the visible region. Inspired by the tunable structure of MCuSi4O10, a series of broadband phosphors Ca1-xSrxCuSi4O10 were designed for realizing continuously tunable NIR emission by a modulated Cu2+ crystal field environment. The emission maximum exhibits a red shift from 915 to 950 nm and the integral intensity enhances as the Sr2+ content varies in the range of 0-0.50, which is led by the lattice expansion and the following weakened crystal field splitting on tetrahedral-coordinated Cu2+. Compared to CaCuSi4O10, the optimized sample Ca0.5Sr0.5CuSi4O10 shows enhanced NIR emission by about 2.0-fold. It exhibits quite a high external quantum efficiency covering the NIR-I and -II regions (λmax = 950 nm, fwhm = 135 nm, EQE = 26.3%) with a strong absorption efficiency (74.7%) and a long excited-state lifetime (134 µs). These solid-solution phosphors (x = 0.0-0.5) show excellent thermal stability and maintain over 50% of the RT intensity at 200 °C. The optimized phosphor was encapsulated with red-light chips to fabricate NIR pc-LED and put into night-vision application. These good properties make these Cu2+-activated NIR phosphors appealing for multiple applications such as nondestructive testing, night version, lasers, and luminescent solar concentrators.

Tetracoordinate Fe3+ Activated Li2ZnAO4 (A = Si, Ge) Near-Infrared Luminescent Phosphors.

Fe3+-doped near-infrared (NIR) phosphors have received a lot of interest because they are nontoxic, inexpensive, and ecologically benign. In this work, Fe3+-activated Li2ZnAO4 (A = Si, Ge) phosphors were synthesized by solid-phase reactions, in which Fe3+ entered the Zn2+ tetrahedral site. When excited by 300 nm UV light, broad NIR emission bands at 750 nm (Li2ZnSiO4: Fe3+) and 777 nm (Li2ZnGeO4: Fe3+) were observed, with internal quantum efficiencies (IQE) of 62.70% (Li2ZnSiO4: Fe3+) and 30.57% (Li2ZnGeO4: Fe3+). The thermal stability was increased from 35.43 to 49.79% at 373 K via cationic regulation. The combination of activation energy, electron-phonon coupling, and Debye temperature explained the improved thermal stability of Li2ZnGeO4: Fe3+ phosphor. Besides, the as-synthesized phosphor demonstrated sensitive and selective Cu2+ ion detection.

Ultra-Broadband Near-Infrared Phosphors Realized by the Heterovalent Substitution Strategy.

Near-infrared (NIR) phosphor-converted light-emitting diodes with broadband emission have received considerable interest. However, there remains a challenge in the construction of ultra-broadband NIR phosphors, hindering their further application. In this work, a heterovalent substitution strategy is proposed to construct a novel ultra-broadband NIR-emitting LaTiTaO6:Cr3+ phosphor with a full width at half maximum of ∼300 nm. Crystal structure, time-resolved emission spectroscopy, and electron paramagnetic resonance analyses confirm that only one crystallographic site of Cr3+ with separated ions exists. Electron and phonon coupling (EPC) evaluated by the Huang-Rhys factor (S) reveals that the heterovalent substitution strategy contributes to strong EPC with S = 9.185, resulting in ultra-broadband emission. Interestingly, a remarkable blue shift of emission from 1050 to 922 nm with increasing temperature is observed. Moreover, the application of LaTiTaO6:Cr3+ phosphor is demonstrated in the qualitative analysis of ethanol/water mixtures. The work will enrich the toolbox for designing broadband NIR-emitting materials.

Sharp-Line Near-Infrared Emission from Tetrahedron-Occupied Ni2+ in Ca2GeO4.

As far as we are concerned, the phenomenon of Ni2+ luminescence in tetrahedral coordination has not been reported. For the first time, a new NIR phosphor Ca2GeO4:Ni2+ is developed in this work. It is found that the NIR emission from this phosphor is a sharp peak attributed to the unusual Ni2+-occupied GeO4 site in the lattice, instead of the conventional broadband luminescence of Ni2+ in the octahedrally coordinated site. Crystal-field analysis has been applied, and the parameters Dq, B, and Δ are calculated to reveal the relationship between the emission profile and the crystal field strength. The optimal Ni2+ doping concentration is found to be 1%. Ca2GeO4:Ni2+ provides an efficient sharp-line (fwhm = 16 nm) emission centered at 1164 nm which originates from the 1T2 → 3T1 transition with an internal quantum efficiency of 23.1% and a decay lifetime of about 300 µs. This work could provide some new insights to explore novel NIR luminescent materials based on transition-metal elements.

Achieving Ultra-Wideband NIR-II Emission in Cr3+-Doped Li(Sc,In)(Si,Ge)O4 Phosphors Based on Host Composition Engineering.

Realizing ultra-wideband and tunable near-infrared (NIR) emission remains a great challenge in NIR phosphor development. The luminescence of most reported NIR phosphors exhibits a peak wavelength shorter than 1000 nm and the corresponding FWHM is <200 nm. Here, a series of Cr3+-activated Li(Sc,In)(Si,Ge)O4 phosphors with ultra-wideband and tunable NIR-II emission are successfully developed based on the host composition engineering strategy. Significant spectral engineering in the NIR-II region is achieved with a peak wavelength changing from 1110 to 1253 nm. The olivine host structure could provide Cr3+ activator a highly distorted octahedral site with very weak crystal field strength, which results in NIR-II ultra-wideband emission with FWHM > 300 nm. A detailed discussion on the relationship between structural variation, crystal field splitting, and NIR luminescence has been applied. As far as we know, it is the first report about Cr3+ NIR luminescence engineering in such a long wavelength and wide range. The application of these NIR-II phosphors is demonstrated in intensity-based luminescent thermometry with a relative sensitivity of >2.0% K-1 in the physiological temperature range.

[Advancements in virtual screening techniques for study of enzyme inhibitor compounds].

Enzymes are closely associated with the onset and progression of numerous diseases, making enzymes a primary target in innovative drug development. However, the challenge remains in identifying compounds that exhibit potent inhibitory effects on the target enzymes. With the continuous expansion of the total number of natural products and increasing difficulty in isolating and enriching new compounds, traditional high-throughput screening methods are finding it increasingly challenging to meet the demands of new drug development. Virtual screening, characterized by its high efficiency and low cost, has gradually become an indispensable technology in drug development. It represents a prominent example of the integration of artificial intelligence with biopharmaceuticals and is an inevitable trend in the rapid development of innovative drug screening in the future. Therefore, this article primarily focused on systematically reviewing the recent applications of virtual screening technology in the development of enzyme inhibitors and explored the prospects and advantages of using this technology in developing new drugs, aiming to provide essential theoretical insights and references for the application of related technologies in the field of new drug development.

Structural Confinement and Energetic Matching Synergistic Effect toward a High-Energy Transfer Efficiency and a Significant Red Emission Enhancement in a Eu2+,Ln3+ Co-doped Sr9LiMn(PO4)7 Whitlockite Phosphor.

Despite an encouraging progress, Mn2+-activated red phosphors suffer from an insufficient emission intensity and a bad color purity. Thus, it is necessary to find a new strategy to realize a bright red emission through highly efficient Mn2+ sensitization. Herein, manipulating Eu2+-sensitized Sr9LiMn(PO4)7 (SLMP) composition by Ln3+ heterovalent substitution is proved to be able to substantially gain a tremendous Mn2+ emission enhancement and result in a dominant red Mn2+ emission. It is found that the emission enhancement ratio is proportional to the order of lanthanide contraction. Notably, Tb3+ doping realizes a 427-fold rise in the integrated emission intensity compared with the SLMP host, which is close to the theoretical maximum of 500. An underlying mechanism for Mn2+ red emission enhancement is proposed, which is attributed to a high-energy transfer probability from Eu2+ to Mn2+ via Ln3+-induced further structural confinement plus an energetic match effect. Meanwhile, homovalent (Ca2+) substitution could precisely tailor Mn2+ emitting color from orange-red to deep red. A warm-white LED device with a low color temperature of 3394 K, a high color-rendering index of 90.2, and suitable CIE coordinates of (0.403, 0.373) is fabricated using optimized phosphor SLMP:Eu2+, Tb3+. These results might reveal a new strategy to develop new red-emitting phosphors with a bright and highly purified red Mn2+ emission.

Synthesis, molecular docking, and evaluation of antibacterial activity of 1,2,4-triazole-norfloxacin hybrids.

A series of 1,2,4-triazole-norfloxacin hybrids was designed, synthesized, and evaluated for in vitro antibacterial activity against common pathogens. All the newly synthesized compounds were characterized by Fourier-transform infrared spectrophotometry, proton and carbon nuclear magnetic resonance, and electrospray ionization-mass spectrometry. Representative compounds from each step of the synthesis were further characterized by X-ray crystallography. Many of the compounds synthesized exhibited antibacterial activity superior to that of norfloxacin toward both, gram-positive and gram-negative bacteria. The toxicity of the 1,2,4-triazole-norfloxacin hybrids toward bacterial cells was 32-512 times higher than that toward mouse fibroblast cells. Moreover, hemolysis was not observed at concentrations of 64 µg/mL, suggesting good biocompatibility. Molecular docking showed a least binding energy of -9.4 to -9.7 kcal/mol, and all compounds were predicted to show remarkable affinity for the bacterial topoisomerase IV.

Application of enzyme-assisted extraction of baicalin from Scutellaria baicalensis Georgi.

Endophytes may depend on degrading the plant cell wall with cellulases for their survival. Therefore, cellulase produced by endophytes may be useful in releasing the active ingredient of medicinal plants. Scutellaria baicalensis Georgi is a traditional Chinese medicinal plant widely used in China and baicalin is one of its main active ingredients. In this study, fresh S. baicalensis Georgi was used to isolate endophytes, Congo red staining was used to screen cellulase-producing strains, and HPLC was used to determine the content of baicalin in S. baicalensis Georgi. As a result, a highly active strain of endophyte capable of the extraction of high levels of baicalin was obtained. The strain was named HG-5 and identified as Bacillus sp. Scanning electron microscopy analysis confirmed that the enzyme better promotes the dissolution of plant active ingredients. After optimizing the enzyme production and extraction processes, we found that when compared with the traditional extraction method, the baicalin yield was increased 79.31% after extraction with the HG-5 enzyme. The current study provides a novel approach and method for the use of endophyte cellulase to improve the extraction of compounds from medicinal plants.

Ultrahigh-Energy-Transfer Efficiency and Efficient Mn2+ Red Emission Realized by Structural Confinement in Ca9LiMn(PO4)7:Eu2+,Tb3+ Phosphor.

Structural confinement on Eu2+-Mn2+ optical centers is an effective strategy to boost Mn2+ red emission. On the basis of the Ca9LiMn(PO4)7 (CLMP) host with a compact Eu2+-Mn2+ distance of ∼3.5 Å, a pure and intense Mn2+ red emission without seeing Eu2+ emission is realized, indicating that an ultrahigh energy transfer (ET) could be induced by a structural confinement effect. It is found that the Mn2+ emission intensity and quantum efficiency could be further improved by a Tb3+ bridging effect, which offers extra energy levels to reduce the energetic mismatch between the excited states of Eu2+ and Mn2+. The optimal sample CLMP:0.02Eu2+,0.90Tb3+ shows a promising performance in terms of high color purity (93.9%), high quantum efficiency (QE = 51.2%), and good thermal stability (70% of the room-temperature value at 373 K). All of the results demonstrate that CLMP:Eu2+,Tb3+ phosphor is a promising red-light-emitting-diode phosphor, and the structural confinement effect should be developed as a general strategy to enhance the ET efficiency for a pure and efficient emission.

Dual-Mode Optical Thermometry Design in Lu3Al5O12:Ce3+/Mn4+ Phosphor.

There is a challenge for noncontact temperature-sensing techniques and the related materials, in which a highly reliable contactless thermometer probe with low cost and high sensitivity is in demand. Here, the Lu3Al5O12:Ce3+/Mn4+ phosphor has been designed and prepared for the high-performance fluorescence temperature-sensing application in a novel one-pot, self-redox, solid-state process. Benefiting from the different electron-lattice/phonon interactions of Ce3+ and Mn4+, two distinguishable emission peaks with significantly different temperature responses originating from Ce3+ and Mn4+ are realized. Applying the fluorescence intensity ratio of Mn4+ versus Ce3+ and the decay lifetime of Mn4+ emission as the temperature readout, a dual-mode optical temperature-sensing mechanism was proposed and studied in the temperature range of 100-350 K. The maximum relative sensitivities (Sr) are derived as 4.37 and 3.22% K-1 respectively, as well as a large chromaticity shift visible to naked eyes (ΔE = 153 × 10-3 in 100-350 K) is observed. This is the first report of a Ce3+,Mn4+ co-doped dual-emitting phosphor, and its unique optical thermometric features demonstrate the high potential of Lu3Al5O12:Ce3+/Mn4+ as an accurate and reliable thermometer probe candidate.

Bright solid-state luminescence of green-red tunable CdTe@BaCO3 composite: Synthesis and properties.

Realizing efficient solid-state luminescence is of great important to expand quantum dots (QDs) application fields. This work reports the preparation of CdTe@BaCO3 composite by a one-pot precipitation method. Both steady-state PL and PL decay characteristics in either solid-state or colloid solution show no obvious difference, mainly benefited from the effective protection of BaCO3 on QDs from the external environment. By utilizing green and red CdTe QDs as dual-color emission centers, precise emitting-color control from green (0.312, 0.667) to red (0.691, 0.292) could be achieved in CdTe@BaCO3 composite by adjusting volume ratio of CdTe solution precursor. Our results demonstrate that this composite material shows bright solid-state luminescence and facile adjustment of the emitting color in QDs-based composite is feasible, which could offer new path to design color-tunable luminescent materials for future optoelectronic applications.

From Nonluminescence to Bright Blue Emission: Boron-Induced Highly Efficient Ce3+-Doped Hydroxyapatite Phosphor.

Photoluminescence quantum efficiency (QE) and thermal stability are important for phosphors used in phosphor-converted light-emitting diodes (pc-LEDs). Hydroxyapatite, Ca5(PO4)3OH, is generally not used as host for phosphors, because the OH- group in the host will lead to a high vibrational frequency around the activators and reduces the luminescent efficiency or even quenches the emission. In this work, strong blue emission at 450 nm appears after introducing boron atoms into Ce3+-doped hydroxyapatite under excitation of a UV light. Analyses suggest that B atoms enter into the host structure, which lead to the modification of crystal structure and the formation of vacancies of O and H to compensate charge mismatch. The decrease of OH- groups around Ce3+ ion on Ca (3) site is responsible for the appearance of strong blue emission. The absolute QE value of the best blue-emitting phosphor is ∼92%, and the emission intensity at 150 °C remains 81% of that at room temperature. The emission peak and International Commission on Illumination (CIE) coordinates hardly change upon increasing temperature. The results suggest that boron-modified hydroxyapatite phosphor could be a candidate for UV-LED-pumped white phosphor-converted LEDs. This strategy may provide a new insight into the exploration of phosphors' hosts and other functional materials.

Identification of a New Uncompetitive Inhibitor of Adenosine Deaminase from Endophyte Aspergillus niger sp.

Adenosine deaminase (ADA) is an enzyme widely distributed from bacteria to humans. ADA is known as a potential therapeutic target for the treatment of lymphoproliferative disorders and cancer. Endophytes are endosymbionts, often bacteria or fungi, which live within plant tissues and internal organs or intercellular space. Endophytes have a broad variety of bioactive metabolites that are used for the identification of novel natural compounds. Here, 54 morphologically distinct endophyte strains were isolated from six plants such as Peganum harmala Linn., Rheum officinale Baill., Gentiana macrophylla Pall., Radix stephaniae tetrandrae, Myrrha, and Equisetum hyemale Linn. The isolated strains were used for the search of ADA inhibitors that resulted in the identification of the strain with the highest inhibition activity, Aspergillus niger sp. Four compounds were isolated from this strain using three-step chromatography procedure, and compound 2 was determined as the compound with the highest inhibition activity of ADA. Based on the results of 1H and 13C NMR spectroscopies, compound 2 was identified as 3-(4-nitrophenyl)-5-phenyl isoxazole. We showed that compound 2 was a new uncompetitive inhibitor of ADA with high cytotoxic effect on HepG2 and SMCC-7721 cells (the IC50 values were 0.347 and 0.380 mM, respectively). These results suggest that endophyte strains serve as promising sources for the identification of ADA inhibitors, and compound 2 could be an effective drug in the cancer treatment.

Antitumor activity of a Rhodococcus sp. Lut0910 isolated from polluted soil.

The actinomycetes strain, lut0910, was isolated from polluted soil and identified as the Rhodococcus species with 99% similarity based on the sequence analysis of 16S recombinant DNA. The extract of this strain demonstrated in vivo and in vitro antitumor activity. The treatment of two human cancer cell lines, hepatocellular carcinoma HepG2 and cervical carcinoma Hela cells, with the lut0910 extract caused the delay in cell propagation in a dose-dependent manner with an IC50 of 73.39 and 33.09 µg/mL, respectively. Also, the oral administration of lut0910 extract to the mice with a solid tumor resulted in the inhibition of tumor growth in comparison with a placebo group. The thymus and spleen indexes were significantly increased in mice groups treated with the lut0910 extract. The histopathological changes of the tumor tissues showed that there were massive necrotic areas in the tumor tissues after treatment with different doses of the lut0910 extract. Our result would provide a new way and potent source for development of new anticancer agent from the polluted environment.

Strong green fluorescent hydrogels with Ba2 MgSi2 O7 :Eu2+ phosphor embedded in cellulose.

Non-cytotoxic and green-emitting fluorescent hydrogels were constructed from a cellulose solution containing Ba2 MgSi2 O7 :Eu2+ green phosphor in a NaOH/urea aqueous system. The structure, optical properties and cytotoxicity of these hydrogels were studied. The Ba2 MgSi2 O7 :Eu2+ phosphor particles were dispersed evenly in the cellulose hydrogel matrix. Good luminescent properties of Ba2 MgSi2 O7 :Eu2+ phosphor were maintained in the hydrogels, leading to strong green emission under ultraviolet excitation. Fluorescent hydrogels have no obvious cytotoxicity in a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) proliferation test, and have potential use in in vivo applications like optical imaging and drug delivery.

LrABCF1, a GCN-type ATP-binding cassette transporter from Lilium regale, is involved in defense responses against viral and fungal pathogens.

MAIN CONCLUSION: The L. regale ATP-binding cassette transporter gene, LrABCF1 belonging to GCN subfamily, functions as a positive regulator of plant defense against Cucumber mosaic virus, Tobacco rattle virus , and Botrytis cinerea in petunia. ATP-binding cassette (ABC) transporters are essential for membrane translocation in diverse biological processes, such as plant development and defense response. Here, a general control non-derepressible (GCN)-type ABC transporter gene, designated LrABCF1, was identified from Cucumber mosaic virus (CMV)-induced cDNA library of L. regale. LrABCF1 was up-regulated upon inoculation with CMV and Lily mottle virus (LMoV). Salicylic acid (SA) and ethylene (ET) application and treatments with abiotic stresses such as cold, high salinity, and wounding increased the transcript abundances of LrABCF1. Constitutive overexpression of LrABCF1 in petunia (Petunia × hybrida) resulted in an impairment of plant growth and development. LrABCF1 overexpression conferred reduced susceptibility to CMV, Tobacco rattle virus (TRV), and B. cinerea infection in transgenic petunia plants, accompanying by elevated transcripts of PhGCN2 and a few defense-related genes in SA-signaling pathway. Our data indicate that LrABCF1 positively modulates viral and fungal resistance.

Sol-gel synthesis and luminescent properties of red-emitting Y(P,V)O4:Eu(3+) phosphors.

Eu(3+)-activated Y(P,V)O4 phosphors were prepared by the EDTA sol-gel method, and the corresponding morphologies and luminescent properties were investigated. The sample particles were relatively spheroid with size of 2-3 µm and had a smooth surface. The excitation spectra for Y(P,V)O4:Eu(3+) consisted of three strong excitation bands in the 200-350 nm range, which were attributed to a Eu(3+)- O(2-) charge-transfer band and (1)A1-(1) T1/(1) T2 transitions in VO4(3-). The as-synthesized phosphors exhibited a highly efficient red luminescence at 613 nm due to the Eu(3+5) D0-(7) F2 electric dipole transition. With the increase in the V(5+)/P(5+) ratio, the luminescence intensity of the red phosphor under UV excitation was greatly improved due to enhanced VO4(3-) → Eu(3+) energy transfer.