There is an increasing interest in procedures to improve skin quality in acne patients with a short downtime. Off late, carbon peel laser technique which uses topical carbon suspension combined with ...Q-switched Nd:YAG laser treatment has gained popularity. The main advantages of this procedure are easy to perform and it requires less than 30 minutes.
A straightforward learning resource, covering the different acupuncture points in the body and their functions. Perfect for visuals learners, it shows the primary meridians, extraordinary meridians ...and known extra points, in an easy to understand format with blank charts for students to make their own notes.
Cancer is one of the most lethal diseases in humans and other species. Breast cancer is the second most frequent cancer after skin cancer, and it develops in the breast. The treatment recommendations ...are variable. The lack of appropriate medication has worsened the disease. Based on prior research, scientists are testing drugs based on medical therapies. Many drugs which include Abemaciclib, Thiotepa, Anastrozole, Tamoxifen, Abraxane, Capecitabine, Exemestane, and Ixabepilone are listed in the new recommendations. A topological index is a type of molecular descriptor that simply defines numerical values associated with the molecular structure of a compound that is effectively used in modeling many physicochemical properties in numerous quantitative structure-property relationship (QSPR) studies. In this study, several newly defined ve-degree of end vertices of each edge-based entropy indices for breast cancer drugs were investigated. A QSPR was established between entropy indices and the physical properties of breast cancer drugs to assess the efficacy of entropy indices. For the computation of entropy indices, a Maple-based algorithm was developed. The QSPR studies were obtained using the linear and cubic regression methods with the help of SPSS. The obtained results reveal that entropy indices under study have a strong correlation with the physical characteristics. Using simple linear regression, we analyzed that
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index is the best predictor of boiling point, enthalpy of vaporization, and molar volume, and
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index is the best predictor of flash point, molar refraction and polarizability. Using cubic regression, we analyzed that the only augmented Zagreb entropy index predicts Melting Point.
Celotno besedilo
Dostopno za:
BFBNIB, DOBA, GIS, IJS, IZUM, KILJ, KISLJ, NUK, PILJ, PNG, SAZU, UILJ, UKNU, UL, UM, UPUK
In this paper, we will prove several new results related to the concept of the multi-valued Feng–Liu contraction. An existence, approximation and localization fixed point theorem for a generalized ...multi-valued nonself Feng–Liu contraction and a new fixed point theorem for multi-valued Feng–Liu contractions in vector-valued metric spaces are proved. Stability results and an application to a system of operatorial inclusions are also given.
Celotno besedilo
Dostopno za:
DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, UILJ, UKNU, UL, UM, UPUK
The Non-Covalent Interactions Atlas (
https://www.nciatlas.org
) has been extended with two data sets of benchmark interaction energies in complexes dominated by London dispersion. The D1200 data set ...of equilibrium geometries provides a thorough sampling of an extended chemical space, while the D442×10 set features dissociation curves for selected complexes. In total, they provide 5178 new CCSD(T)/CBS data points of the highest quality. The new data have been combined with previous NCIA data sets in a comprehensive test of dispersion-corrected DFT methods, identifying the ones that achieve high accuracy in all types of non-covalent interactions in a broad chemical space. Additional tests of dispersion-corrected MP2 and semiempirical QM methods are also reported.
The Non-Covalent Interactions Atlas database (
https://www.nciatlas.org
) has been extended with two data sets, D1200 and D442×10, covering London dispersion. This completes the database of all common non-covalent interactions in neutral organic molecules.
The Cover Feature illustrates the basic idea of how to get a realistic view of the accuracy with which kinetic reaction parameters can be derived for reactions on surfaces: Simulate reactant versus ...temperature curves as measured by X‐ray photoelectron spectroscopy, thin out the data points, superimpose noise, and then fit the data again and compare fitted and original pre‐exponential and activation energy. More information can be found in the Perspective by Markus Lackinger.
The rapid process of urbanization, accompanied by the sharp increase of urban population and expansion of artificial surface, has resulted in the loss of natural ecosystems and the degradation of ...ecosystem services. Identifying and protecting key places that have high importance for ecological sustainability are great challenges. Ecological security patterns are such an integrated approach to protecting regional ecological sustainability. In this study, taking Yunnan Province, China as a case study area, ecological sources were identified through ecosystem services, and circuit theory was used to model ecosystem processes in heterogeneous landscapes via calculating the ‘resistance’ or ‘current’, and thus to identify ecological corridors and key ecological nodes. The results showed that, ecological security patterns included 66 ecological sources, 186 ecological corridors, 24 pinch-points and 10 barriers. In details, the ecological sources were mainly distributed in the southwest and northwest of Yunnan Province, with the ecological corridors locating along the high mountains, and both ecological sources and corridors were mostly covered with forest land. Pinch-points covered by forest land and cultivated land, were distributed in the middle of Yunnan Province along the rivers. Approximately 75.9% nature reserves were located in the identified ecological sources, and the remainings were mainly distributed in eastern Yunnan Province with small area, showing the effectiveness in identifying ecological security patterns. Among 81 projects of low–slope hill development carried out in Yunnan Province, 46.9% showed potential human stress on regional ecological security. Based on ecosystem services and circuit theory, this study provides a new approach to identifying the spatial range of ecological corridors and the specific location of key nodes for effective ecological conservation and restoration.
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•Ecosystem services were used to identify ecological source.•Ecological corridor, pinch point and barrier were identified using circuit theory.•38 development projects showed potential stress on ecological security patterns.
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•A high-throughput fuel screening approach is proposed for property-oriented fuel design.•ML-QSPR and chemical kinetics are adopted for virtual fuel screening.•Tier 1 screening is ...driven by ML QSPR models for 15 physicochemical properties.•Tier 2 screening is driven by chemical kinetic models for ignition and flame properties.•A case study for SI engines is provided to showcase the application of virtual screening.
This work proposes a high throughput fuel screening approach to identify molecules with desired properties for internal combustion engine at the early stage of property-oriented fuel design. The virtual screening is a funnel-like approach containing Tier 1 fuel physicochemical property screening and Tier 2 chemical screening. Tier 1 screening is based on the machine learning quantitative structure property relationship (ML-QSPR) models for 15 properties of melting point, boiling point, vapor pressure, enthalpy of vaporization, cetane number, research octane number, motor octane number, ignition temperature, flash point, yield sooting index, liquid density, lower heating value, surface tension, lower/upper flammability limit. The key is to identify the target values for the selected properties for a given engine architecture and combustion strategy. Tier 2 screening inspects the ignition delay time, ϕ-sensitivity and laminar flame speed to evaluate the fuel reactivity, the potential of ϕ stratification combustion, combustion rate and dilution tolerance. Merit function provides a simple tool to assess the potential benefit of fuel-engine interaction based on the properties computed in Tier 1 and Tier 2 screenings. A case study for boosted spark ignition engine is performed to showcase the fuel screening workflow. The virtual screening can accelerate the property-oriented fuel design in a time, resource, labor, cost-effective way and identify the promising candidates for the experimental test as ultimate validation. This paradigm aims at inspiring the new ideas of data-driven fuel screening and promoting the application in the energy sector.
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