Microplasma radio frequency technology using stationary tips on pig skin: A histological study.

OBJECTIVE: To investigate the histological properties of microplasma radiofrequency (MPRF) using a stationary tip in different treatment strategies on porcine skin. METHODS: Two Bama miniature pigs received MPRF treatment with two types of stationary tips in eight groups of parameters (power, duration, and pass) on dorsal skin. Skin samples were collected from each treatment zone immediately, at 1 week and 1, 3, and 6 months after treatment. Hematoxylin and eosin (HE) and Masson staining were performed to assess histologic changes as well as neocollagenesis. The dynamic changes of heat shock protein 47 (HSP47) and heat shock protein 72 (HSP72) were also detected by immunohistochemistry. RESULTS: Skin damage increased with pulse energy, duration, and pass. Longer durations or repeated treatments may cause particularly severe skin damage. During the wound healing process, the newborn collagen of the dermis is rearranged. The distribution of HSP47 and HSP72 was consistent with the extent of collagen remodeling. It peaked 1 month after treatment. CONCLUSION: MPRF can effectively cause epidermal ablation, dermal collagen hyperplasia, and remodeling. Increasing power should be the first choice when increasing treatment intensity. For longer durations or repeated treatments, caution should be taken to avoid excessive skin trauma.

Effects of different processing techniques of palm kernel cake on processing quality of pellet feed, nutrient digestibility, and intestinal microbiota of pigs.

The present study was conducted to investigate the effects of extrusion, fermentation, and enzymolysis of palm kernel cake on processing quality of pellet feed, nutrient digestibility, and intestinal microbiota of pigs. First, the pretreatment parameters of extrusion, enzymolysis, and fermentation of palm kernel cake were optimized. Then, PKC after three processing techniques were used to prepare pellet feed. A total of 160 crossbred piglets (Duroc × Landrace × Yorkshire) with an average body weight of 28 ±â€…0.5 kg were used in an 8-wk feeding experiment. Pigs were randomly assigned to five treatments with four replicates per treatment and eight pigs per replicates. The five experimental groups were as follows: basal diet group (whole corn-soybean meal), 10% PKC group (PKC), 10% extrusion PKC group (PPKC), 10% enzymolysis PKC group (EPKC), and 10% fermented PKC group (FPKC), respectively. At the end of the experiment, four pigs from each treatment (randomly collected one pig per pen) were sacrificed by administering a pentobarbital overdose, the gut and blood samples were collected for the quantification analysis of microbiota, hematological parameters, and apparent total tract nutrient digestibility. The results showed that all three processing techniques significantly decreased the contents of crude fiber of PKC (P < 0.01), pulverization rate (P < 0.01), powder content (P < 0.01), and increased the hardness and gelatinization starch of pellet feed (P < 0.05) compared to PKC group. In addition, PPKC significantly improved the dry matter, crude protein, and ether extract content, blood indices and average daily feed intake compared to PKC group (P < 0.01), while the parameters were similar among FPKC, EPKC, and control group (P > 0.01). Furthermore, all three processing techniques significantly increased the Lactobacillus and decreased the Escherichia levels in feces or gut compared to PKC. Collectively, extrusion, fermentation, and enzymolysis of PKC had positively enhanced the pellet quality, growth performance, nutrient digestibility, and gut microbiota, extrusion exhibited a superior feeding effect compared to fermentation and enzymolysis.

Palm kernel cake (PKC) has lower nutritional value compared with soybean meal, cottonseed meal, and rapeseed meal, but its cost advantage is great, and it has been gradually used in the ruminant feeding. Due to its high crude fiber content, the processing technique applied to the PKC has a significant impact on its effectiveness. However, the different processing techniques of PKC on pellet quality, and performance of pigs have been poorly reported. The present study was conducted to investigate the effects of extrusion, fermentation, and enzymolysis pretreatment of PKC on processing quality of pellet feed, nutrient digestibility (in vivo), and intestinal microbiota of growing­finishing pigs. This study provides the optimal processing parameters of the three processing techniques, and demonstrated that PKC after processing could significantly improve the pellet quality, performance, and intestinal microbiota of growing­finishing pigs, while extrusion exhibited a superior feeding effect compared to fermentation and enzymolysis.

Chemical Bonding in Isoelectronic NdO2 and SmO22.

Neodymium dioxide (NdO2) and samarium dioxide cation (SmO22+) are isoelectronic molecules. Here we used calculations of the spin-orbit-free wave functions to study and compare their geometries, spin states, and bonding. We used Kohn-Sham density functional theory with the B97-1 exchange-correlation functional to optimize the geometries and found that the two molecules have different ground spin states and structures. NdO2 favors a linear ONdO triplet structure, and SmO22+ favors a linear SmOO2+ quintet structure. We then used state-averaged complete-active-space self-consistent-field (SA-CASSCF) calculations to investigate the bonding characteristics of NdO2 and SmO22+ in various geometries. We found that in NdOO, one electron is transferred from Nd to O, while in SmO22+, there is no electron transfer between Sm and O. The SA-CASSCF calculation also shows that ONdO has a stronger bonding orbital between a 4f orbital of Nd and a pz orbital of oxygen atoms. We compared three multireference methods, namely, extended multistate complete active space second-order perturbation theory (XMS-CASPT2), extended multistate pair-density functional theory (XMS-PDFT), and compressed multistate pair-density functional theory (CMS-PDFT), for calculating the spin-orbit-free energies of various isomers of both molecules. We found that although XMS-PDFT and CMS-PDFT are at the same cost level as SA-CASSCF, they give results with the same accuracy as given for the much more demanding XMS-CASPT2 calculation. Between the two multistate PDFT methods, CMS-PDFT is better at giving good degeneracies for states that should be degenerate.

Electronic Excitation of ortho-Fluorothiophenol.

ortho-Fluorothiophenol (o-FTP) photodissociates through the well-known πσ* process. The fluorine atom of o-FTP introduces a feature in the photodissociation of o-FTP that does not occur in most other πσ* processes because the fluorine atom can form a hydrogen bond with the hydrogen atom of the SH group. Theoretical computations can serve as a good way to study these reactions because they usually proceed very quickly, and the current spectroscopies cannot probe the details of the processes as thoroughly as theory can. Here we use completely renormalized equation-of-motion coupled cluster theory with single and double excitations and a quasiperturbative treatment of connected triple excitations (CR-EOM-CCSD(T)) and quasidegenerate perturbation theory, in particular extended multistate complete-active-space second-order perturbation theory (XMS- CASPT2), to calculate the four lowest singlet states of o-FTP and hybrid density functional theory to optimize the geometries of the two lowest singlet states. We find that ten active electrons in nine active orbitals are sufficient to provide a good reference function for all four states. We find that the ground electronic state and the first excited singlet state both exhibit strongly bent hydrogen bonds. We also use density functional theory with the Tamm-Dancoff approximation and the SMD solvation model to successfully simulate the electronic spectrum of o-FTP in n-hexane solvent.

[Less-than-subtotal parathyroidectomy in MEN1-ralated primary hyperparathyroidism: a case report].

This case reported a case of multiple endocrine neoplasia type 1（MEN1）. The patient was admitted to hospital on January 17 2020 due to persistent ostealgia and the elevated calcium level in the last 2 years. Laboratory tests showed elevated parathyroid hormone（PTH） and serum calcium level, which were 2295 ng/L（normal, 10-69 ng/L） and 3.15 mmol/L（normal, 2.03-2.54 mmol/L）. Ultrasound of the neck found a solid nodule under the left inferior pole of thyroid, while 99mTc-MIBI SPECT/CT showed enhancement at the same place. Subsequently, cranial MRI found a tumor in sellar area, and abdominal MRI showed a tumor in left adrenal gland. Finally, the patient was diagnosed as MEN1.

Spin-Orbit Coupling Changes the Identity of the Hyper-Open-Shell Ground State of Ce+, and the Bond Dissociation Energy of CeH+ Proves to Be Challenging for Theory.

Cerium (Ce) plays important roles in catalysis. Its position in the sixth period of the periodic table leads to spin-orbit coupling (SOC) and other open-shell effects that make the quantum mechanical calculation of cerium compounds challenging. In this work, we investigated the low-lying spin states of Ce+ and the bond energy of CeH+, both by multiconfigurational methods, in particular, SA-CASSCF, MC-PDFT, CASPT2, XMS-PDFT, and XMS-CASPT2, and by single-configurational methods, namely, Hartree-Fock theory and unrestricted Kohn-Sham density functional theory with 34 choices of the exchange-correlation functional. We found that only CASPT2, XMS-CASPT2, and SA-CASSCF (among the five multiconfigurational methods) and GAM, HCTH, SOGGA11, and OreLYP (among the 35 single-configuration methods) successfully predict that the SOC-free ground spin state of Ce+ is a doublet state, and CASPT2 and GAM give the most accurate multireference and single-reference calculations, respectively, of the excitation energy of the first SOC-free excited state for Ce+. We calculated that the ground doublet state of Ce+ is an intra-atomic hyper-open-shell state. We calculated the spin-orbit energy (ESO) of Ce+ by the five multiconfigurational methods and found that ESO calculated by CASPT2 is the closest to the experimental value. Taking advantage of the availability of an experimental D0 for CeH+ as a way to provide a unique test of theory, we showed that all the multiconfigurational methods overestimate D0 by at least 246 meV (5.7 kcal/mol), and only three functionals, namely, SOGGA, MN15, and GAM, have an error of D0 that is less than 200 meV (5 kcal/mol).

The valence and Rydberg states of dienes.

The molecules 1,4-cyclohexadiene (unconjugated 1,4-CHD) and 1,3-cyclohexadiene (conjugated 1,3-CHD) both have two double bonds, but these bonds interact in different ways. These molecules have long served as examples of through-bond and through-space interactions, respectively, and their electronic structures have been studied in detail both experimentally and theoretically, with the experimental assignments being especially complete. The existence of Rydberg states interspersed with the valence states makes the quantum mechanical calculation of their spectra a challenging task. In this work, we explore the electronic excitation energies of 1,4-CHD and 1,3-CHD for both valence and Rydberg states by means of complete active space second-order perturbation theory (CASPT2), extended multi-state CASPT2 (XMS-CASPT2), and multiconfiguration pair-density functional theory (MC-PDFT); it is shown by comparison to experiment that MC-PDFT yields the most accurate results. We found that the inclusion of Rydberg orbitals in the active space not only enables the calculation of Rydberg excitation energies but also improves the accuracy of the valence ones. A special characteristic of the present analysis is the calculation of the second moments of the excited-state orbitals. Because we find that the CASPT2 densities agree well with the CASSCF ones and since the MC-PDFT methods gets accurate excitation energies based on the CASSCF densities, we believe that we can trust these moments as far as giving a more accurate picture of the diffuseness of the excited-state orbitals in these prototype molecules than has previously been available.

Advanced sulfide solid electrolyte by core-shell structural design.

Solid electrolyte is critical to next-generation solid-state lithium-ion batteries with high energy density and improved safety. Sulfide solid electrolytes show some unique properties, such as the high ionic conductivity and low mechanical stiffness. Here we show that the electrochemical stability window of sulfide electrolytes can be improved by controlling synthesis parameters and the consequent core-shell microstructural compositions. This results in a stability window of 0.7-3.1 V and quasi-stability window of up to 5 V for Li-Si-P-S sulfide electrolytes with high Si composition in the shell, a window much larger than the previously predicted one of 1.7-2.1 V. Theoretical and computational work explains this improved voltage window in terms of volume constriction, which resists the decomposition accompanying expansion of the solid electrolyte. It is shown that in the limiting case of a core-shell morphology that imposes a constant volume constraint on the electrolyte, the stability window can be further opened up. Advanced strategies to design the next-generation sulfide solid electrolytes are also discussed based on our understanding.

A Microporous Covalent-Organic Framework with Abundant Accessible Carbonyl Groups for Lithium-Ion Batteries.

A key challenge faced by organic electrodes is how to promote the redox reactions of functional groups to achieve high specific capacity and rate performance. Here, we report a two-dimensional (2D) microporous covalent-organic framework (COF), poly(imide-benzoquinone), via in situ polymerization on graphene (PIBN-G) to function as a cathode material for lithium-ion batteries (LIBs). Such a structure favors charge transfer from graphene to PIBN and full access of both electrons and Li+ ions to the abundant redox-active carbonyl groups, which are essential for battery reactions. This enables large reversible specific capacities of 271.0 and 193.1 mAh g-1 at 0.1 and 10 C, respectively, and retention of more than 86 % after 300 cycles. The discharging/charging process successively involves 8 Li+ and 2 Li+ in the carbonyl groups of the respective imide and quinone groups. The structural merits of PIBN-G will trigger more investigations into the designable and versatile COFs for electrochemistry.