Malignant Giant Cell Tumor of Soft Tissue: A Case Report of Intramuscular Malignant Giant Cell Carcinoma of the Tensor Fasciae Latae.

INTRODUCTION: Giant cell tumor of soft tissue (GCT-ST)is a low-grade ST tumor that occurs most frequently below the skin and sometimes, extending deeper into the tissues. The tumor is usually hard, painless and considered rare in ST. CASE REPORT: We report a rare case of a middle-aged woman that presented with a tumor arising from the right tensor fasciae latae muscle. The patient initially opted for traditional Chinese herbal treatment, which we believe, aggravated the growth of the tumor. Radiographic imaging showed clear tumor margins. The histopathological biopsy of the lesion located in the tensor fasciae latae muscle showed a mixture of mononucleated and multinuclear giant cells composed of mesenchyme spindle-shaped cells positive for CD34 and CD88. The patient was treated through surgical resection of the tumor and scheduled for close follow-up. CONCLUSION: Since GCT-ST is rare, they are often initially misdiagnosed. These tumors have the tendency to increase in size exponentially within a short period of time, which is why clinical presentation and imaging are necessary for a better pre-operative diagnosis. Radical surgical excision or radiotherapy with close follow-up is recommended for all cases due to the high rate of reoccurrence.

A new colorimetric and fluorescent probe with a large stokes shift for rapid and specific detection of biothiols and its application in living cells.

In this work, a new reversible colorimetric and fluorescent probe for sequential recognition of copper ions and biothiols is synthesized easily. Based on the chelation-enhanced fluorescence quenching (CHEQ) effect, this probe shows high sensitivity and selectivity towards Cu2+, which can be detected by the naked eye. And this experimental phenomenon can also be realised upon addition of biothiols, restoring their initial fluorescence intensity. This probe also features a very high response speed (less than 5 seconds) and a large stokes shift (178 nm) toward Cu2+ and biothiols. Moreover, the detection limit for Cu2+ and biothiols is as low as 7.34 nM and 10.3 nM, respectively. Additionally, this ON-OFF-ON-type fluorescence recognition cycle can be repeated more than 5 times by addition of Cu2+ and biothiols in turn. Particularly, this 1-Cu2+ ensemble is further successfully applied for GSH detection in living cells.

Extra-articular tenosynovial chondromatosis of the left ring finger in a 23-year-old man: A case report and literature review.

Tenosynovial chondromatosis is an extra-articular version of articular synovial chondromatosis and a relatively rare condition that can affect the tendon sheath, bursa, or joint synovial tissue. Tenosynovial chondromatosis is rarely reported in the literature and is often misdiagnosed. In the present study, a case of extra-articular tenosynovial chondromatosis of the left ring finger in a 23-year-old man is reported. Three different-sized nodules were identified upon surgery and all were removed via synovectomy. The patient was symptom free 6 months postoperatively, and there were no signs of recurrence after 1.5 years of follow-up. The literature describing tenosynovial chondromatosis in the fingers is also reviewed.

Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.

A systematic theoretical investigation on a series of dimeric complexes formed between some halocarbon molecules and electron donors has been carried out by employing both ab initio and density functional methods. Full geometry optimizations are performed at the Moller-Plesset second-order perturbation (MP2) level of theory with the Dunning's correlation-consistent basis set, aug-cc-pVDZ. Binding energies are extrapolated to the complete basis set (CBS) limit by means of two most commonly used extrapolation methods and the aug-cc-pVXZ (X = D, T, Q) basis sets series. The coupled cluster with single, double, and noniterative triple excitations [CCSD(T)] correction term, determined as a difference between CCSD(T) and MP2 binding energies, is estimated with the aug-cc-pVDZ basis set. In general, the inclusion of higher-order electron correlation effects leads to a repulsive correction with respect to those predicted at the MP2 level. The calculations described herein have shown that the CCSD(T) CBS limits yield binding energies with a range of -0.89 to -4.38 kcal/mol for the halogen-bonded complexes under study. The performance of several density functional theory (DFT) methods has been evaluated comparing the results with those obtained from MP2 and CCSD(T). It is shown that PBEKCIS, B97-1, and MPWLYP functionals provide accuracies close to the computationally very expensive ab initio methods.

Ab initio investigation of the complexes between bromobenzene and several electron donors: some insights into the magnitude and nature of halogen bonding interactions.

Halogen bonding, a specific intermolecular noncovalent interaction, plays crucial roles in fields as diverse as molecular recognition, crystal engineering, and biological systems. This paper presents an ab initio investigation of a series of dimeric complexes formed between bromobenzene and several electron donors. Such small model systems are selected to mimic halogen bonding interactions found within crystal structures as well as within biological molecules. In all cases, the intermolecular distances are shown to be equal to or below sums of van der Waals radii of the atoms involved. Halogen bonding energies, calculated at the MP2/aug-cc-pVDZ level, span over a wide range, from -1.52 to -15.53 kcal/mol. The interactions become comparable to, or even prevail over, classical hydrogen bonding. For charge-assisted halogen bonds, calculations have shown that the strength decreases in the order OH- > F- > HCO2- > Cl- > Br-, while for neutral systems, their relative strengths attenuate in the order H2CS > H2CO > NH3 > H2S > H2O. These results agree with those of the quantum theory of atoms in molecules (QTAIM) since bond critical points (BCPs) are identified for these halogen bonds. The QTAIM analysis also suggests that strong halogen bonds are more covalent in nature, while weak ones are mostly electrostatic interactions. The electron densities at the BCPs are recommended as a good measure of the halogen bond strength. Finally, natural bond orbital (NBO) analysis has been applied to gain more insights into the origin of halogen bonding interactions.

Proton exchanges between phenols and ammonia or amines: a computational study.

Density functional theory calculations at the B3LYP/6-31+G(d,p) level of theory have been performed to explore proton exchanges between phenols and ammonia or amines, which can be used to account for previous NMR experiments. For the parent phenol-NH(3) system, a transition state with a symmetric phenolate-NH(4)(+)-like structure, which lies about 35 kcal mol(-1) in energy above the hydrogen-bonded complex, has been successfully located. An intrinsic reaction coordinate (IRC) analysis indicates that the proton exchange is a concerted process, which can be roughly divided into four continuous subprocesses. A series of para-substituted phenol-NH(3) systems have been considered to investigate the substituent effect. Whereas introduction of an electron-withdrawing group on the phenol appreciably reduces the barrier, an opposite effect is observed for an electron-donating group. Moreover, it has been disclosed that there exists a good linear correlation between the activation barriers and the interaction energies between the phenols and NH(3), indicating the important role of proton transfer (or hydrogen bonding) in determining the proton exchange. Also considered are the proton exchanges between phenol and amines and those for some sterically hindered systems. The results show that the phenol tends to exchange hydrogen with the amines, preferably the secondary amines, and that the steric effect is favorable for the proton exchange, which imply that, as the IRC analysis suggested, besides the proton transfer, the flip of the ammonium-like moiety may play a significant role in the course of proton exchange. For all of these systems, we investigated the solvent effects and found that the barrier heights of proton exchange decrease remarkably as compared to those in a vacuum due to the ion pair feature of the transition state. Finally, we explored the phenol radical cation-NH(3) system; the barrierless proton transfer and remarkably low barrier (5.2 kcal mol(-1)) of proton exchange provide further evidence for the importance of proton transfer in the proton exchange.