Phase Equilibrium Calculations by Equation of State v2

Practical methods for phase equilibrium calculations by the equation of state for a perfect solid and liquid (v2) are described using examples of worksheets. Using the Microsoft Excel worksheets, the pressure, Gibbs energy and other thermodynamic quantities of a molecular system are obtained as functions of temperature and volume. Some examples of VBA (Visual Basic for Applications) programs are given to obtain volume and other thermodynamic properties as a function of temperature under a given pressure. The thermodynamic consistency test is performed as a function of temperature at a given pressure, where the difference between the heat capacity under a constant pressure and that under a constant volume should equal to an expression consisting of the thermal expansion coefficient, temperature, volume and isothermal compressibility.完全固体・完全液体の状態方程式に基づいて、相転移を計算する方法を示した。エクセルのワークシートを使って、ギブズエネルギーやその他の熱力学量を温度と体積の関数として得ることができる。VBAプログラムの例も添付した。熱力学的な恒等式を用いて、数値計算に大きな矛盾がないことを確かめた

Numerical Calculations in Phase Equilibrium by Equation of State v3

A practical method for phase equilibrium calculations using the equation of state for a perfect solid and a perfect liquid is shown along with examples of Excel worksheets. The molecular systems of a perfect solid and a perfect liquid are assumed to be composed of single-type spherical molecules. The molecular interaction is expressed by a Lennard-Jones potential function. The pressure and internal energy of the system are expressed as functions of temperature and volume. Other thermodynamic functions such as entropy are also given as functions of temperature and volume. A thermodynamic constancy test is performed.完全固体・完全液体の状態方程式 v3に基づいて、相転移を計算する方法を示した。エクセルのワークシートを使って、ギブズエネルギーやその他の熱力学量を温度と体積の関数として得ることができる。VBAプログラムの例も添付した。熱力学的な恒等式を用いて、数値計算に大きな矛盾がないことを確かめた

Perfect Solid and Liquid

A 3-phase equilibrium in argon is obtained by the thermodynamics of the perfect solid and liquid. The equation of state (EOS) for a perfect solid is obtained for a pure substance of spherical molecules that undergo molecular interaction of the Lennard-Jones form. The primitive internal energy EOS for a perfect solid (referred to as v0 EOS) is the sum of the thermally averaged kinetic energy and the potential energy of the nearest neighbors in a face-centered cubic (FCC) solid at 0 K. The extended internal energy EOS for a perfect solid (v1) includes a long-range effect in the low density region as the internal energy in the van der Waals EOS. The pressure EOS is written as the volume derivative of the potential energy at 0 K to satisfy the EOS with respect to thermodynamics. The temperature effect in the virial term is included in the extended pressure EOS. The EOS for a perfect liquid is the van der Waals EOS with empirical coefficients to explain the 3-phase equilibrium. The change in entropy for a reversible process is calculated by the standard method. The thermodynamic quantities of each phase are written as functions of volume and temperature. In this way, the Gibbs energy per molecule is plotted as a function of pressure for both solid and liquid phases, and the crossing point in the plot is the phase transition point. The p-V-T relations on the equilibrium lines are comparable with the experimental and molecular simulation results. The calculated average potential energy and entropy on the phase boundaries are consistent with the simulations. The thermodynamic quantities under a low pressure are compared with the molecular dynamic simulations. The quantities examined are volume, internal energy, enthalpy, entropy, Helmholtz energy, Gibbs energy, expansion coefficient, isothermal compressibility and heat capacity under a constant pressure.固体についてレナードージョーンズ相互作用と面心立方格子を仮定して、簡単化した状態方程式を示した。これを完全固体の状態方程式と呼ぶ。液体と気体については実験値の解析から得られたファンデルワールス状態方程式を仮定した。これを完全液体の状態方程式と呼ぶ。これらを用いて球形分子系の３相平衡をギブズエネルギーの計算から導いた。その結果をアルゴン系についての実験結果および、モンテカルロ法・分子動力学法シミュレーションと比較して、全体的に良い対応関係を得た

胃上皮性腫瘍内視鏡的粘膜下層剥離術におけるポリグリコール酸シート・フィブリン糊併用被覆法の後出血予防効果についての検討

学位の種別: 課程博士審査委員会委員 : （主査）東京大学教授 瀬戸 泰之, 東京大学准教授 宮田 完二郎, 東京大学特任准教授 小出 大介, 東京大学講師 山下 裕玄, 東京大学講師 土井 研人University of Tokyo(東京大学

A case of Langerhans cell sarcoma on the scalp: Whole‐exome sequencing reveals a role of ultraviolet in the pathogenesis

Langerhans cell sarcoma (LCS) is a high‐grade neoplasm with overtly malignant cytological features and a Langerhans cell phenotype. The underlying genetic features are poorly understood, and only a few alterations, such as those of the MARK pathway‐related genes, CDKN2A and TP53 have been reported. Here we present a 70‐year‐old male with LCS on the scalp and pulmonary metastasis. The multinodular tumor, 3.0 cm in diameter, consisted of diffusely proliferated pleomorphic cells with numerous mitoses (53/10 HPFs). Immunohistochemically, the tumor cells were positive for CD1a, Langerin and PD‐L1, and the Ki‐67 labeling index was 50%. These pathological features were consistent with LCS, and were also observed in the metastatic tumor. Whole‐exome sequencing revealed that both the primary and metastatic tumors harbored a large number of mutations (>20 mutations/megabase), with deletion of CDKN2A and TP53 mutation, and highlighted that the mutational signature was predominantly characteristic of ultraviolet (UV) exposure (W = 0.828). Our results suggest, for the first time, that DNA damage by UV could accumulate in Langerhans cells and play a role in the pathogenesis of LCS. The high mutational burden and PD‐L1 expression in the tumor would provide a rationale for the use of immune checkpoint inhibitors for treatment of unresectable LCS

Exploring autistic-like traits relating to empathic attitude and psychological distress in hospital pharmacists

BACKGROUND: Pharmacists are expected to play a key role in modern cancer care. Research suggests that an empathic approach and attitude in medical staff improves the quality of patient care. An empathic attitude and psychological distress are thought to be associated with autistic-like traits, but little is known about such traits. OBJECTIVE: In this study, we aimed to clarify the associations among autistic-like traits, empathic attitude in a medical context, and psychological health in hospital pharmacists. SETTING: Eligibility criteria for inclusion were certified pharmacists working at hospitals for patient care who returned their questionnaires. METHOD: Eight hundred and twenty-three hospital pharmacists completed a number of self-administered questionnaires anonymously by mail. MAIN OUTCOME MEASURES: Scores were obtained on the Autism-Spectrum Quotient, the Jefferson Scale of Empathy, the General Health Questionnaire-12, and subscales of the Interpersonal Reactivity Index (Perspective Taking, IRI-Empathic Concern, IRIPersonal Distress). We performed correlation and mediation analyses to confirm that the empathy and general health questionnaires were associated with autism-spectrum quotient scores, and with each IRI subscale. RESULTS: Complete responses were obtained from 379 pharmacists comprising 151 males (39.8 %) with a mean age of 37.7 ± 10.8 years (missing data, n = 13) and a median of 11 years after qualification as a pharmacist. Autism-Spectrum Quotient scores were inversely correlated with empathy (r = -0.22, p < 0.001) and positively correlated with general health scores (r = 0.40, p < 0.001). In the models with mediation, the inverse correlation between autism-spectrum quotient and empathy scores was mediated indirectly by IRI-Perspective Taking and IRI-Empathic Concern, and the positive correlation between autism-spectrum quotient and general health was mediated indirectly by IRI-Personal Distress. There were also direct effects, with significant effects of autism-spectrum quotient on empathy and general health scores. CONCLUSION: Our findings suggest that autistic-like traits affect both empathic attitude in a medical context and the psychological health of pharmacists. We recommend that to improve empathy in those with high levels of autistic-like traits, we may need to develop specialized interventions, such as improving communication skills training

Development of a preoperative prediction model for new-onset diabetes mellitus after partial pancreatectomy

ABSTRACT: Pancreatectomy is an invasive surgery that is sometimes associated with complications. New-onset diabetes mellitus sometimes develops after partial pancreatectomy and severely affects the patient's quality of life. This study aimed to develop a preoperative prediction model of new-onset diabetes mellitus after partial pancreatectomy, which will help patients and surgeons to achieve more easily better common decisions on regarding whether to perform partial pancreatectomy. This retrospective cohort study analyzed medical records of patients who underwent partial pancreatectomy (total pancreatectomy excluded) from April 1, 2008, to February 28, 2016, which were available in the database provided by Medical Data Vision Co., Ltd. (Tokyo, Japan). The predictors were preoperative age, body mass index, hemoglobin A1c level, blood glucose level, and indication for partial pancreatectomy. The outcome was the development of new-onset diabetes mellitus at 1 to 12 months after partial pancreatectomy. We used a logistic regression model and calculated the scores of each predictor. To determine test performance, we assessed discrimination ability using the receiver operating characteristic curve and calibration with a calibration plot and the Hosmer-Lemeshow test. We also performed internal validation using the bootstrap method. Of 681 patients, 125 (18.4%) had new-onset diabetes mellitus after partial pancreatectomy. The developed prediction model had a possible range of 0 to 46 points. The median score was 13, and the interquartile range was 9 to 22. The C-statistics of the receiver operating characteristic curve on the score to predict the outcome was .70 (95% confidence interval [CI], .65-.75). Regarding the test performance, the Hosmer-Lemeshow test was not significant (P = .17), and calibration was good. In the bootstrapped cohorts, the C-statistics was .69 (95% CI, .62-.76). We developed a preoperative prediction model for new-onset diabetes mellitus after partial pancreatectomy. This would provide important information for surgeons and patients when deciding whether to perform partial pancreatectomy

Unraveling the Nature of Unidentified High Galactic Latitude Fermi/LAT Gamma-ray Sources with Suzaku

We report on the results of deep X-ray follow-up observations of four unidentified Fermi/LAT gamma-ray sources at high Galactic latitudes using Suzaku. The studied objects were detected with high significance during the first 3 months of Fermi/LAT operation, and subsequently better localized in the Fermi/LAT 1 year catalog (1FGL). Possible associations with pulsars and active galaxies have subsequently been discussed, and our observations provide an important contribution to this debate. In particular, an X-ray point source was found within the 95% confidence error circle of 1FGL J1231.1-1410. X-ray spectrum is well-fitted by a blackbody with an additional power-law. This supports the recently claimed identification of this source with a millisecond pulsar (MSP) PSR J1231-1411. Concerning 1FGL J1311.7-3429, two X-ray sources were found within the LAT error circle. Even though the X-ray spectral and variability properties were accessed, their nature and relationship with the gamma-ray source remain uncertain. We found several weak X-ray sources in the field of 1FGL J1333.2+5056, one coinciding with CLASS J1333+5057. We argue the available data are consistent with the association between these two objects. Finally, we have detected an X-ray source in the vicinity of 1FGL J2017.3+0603. This object was recently suggested to be associated with a newly discovered MSP PSR J2017+0603, because of the spatial-coincidence and the gamma-ray pulse detection. We have only detected the X-ray counterpart of the CLASS J2017+0603, while we determined an X-ray flux upper limit at the pulsar position. All in all, our studies indicate while a significant fraction of unidentified high Galactic latitude gamma-ray sources is related to the pulsar and blazar phenomena, associations with other classes of astrophysical objects are still valid options.Comment: Accepted for publication in the Ap

A new prognostic index for overall survival in malignant pleural mesothelioma: the rPHS (regimen, PS, histology or stage) index.

First published online: April 2, 2015[Objective] Existing prognostic indices for malignant pleural mesothelioma do not incorporate the recent advances in oncology care. The purpose of this study was to provide a prognostic index for overall survival in malignant pleural mesothelioma patients treated with chemotherapy with pemetrexed or best supportive care in the recent clinical setting. [Methods] A retrospective cohort study was performed in two hospitals in Japan (2007–13). The primary outcome was overall survival. The Cox proportional hazards model was used for multivariable analyses to identify prognostic factors. A final model was chosen based on both clinical and statistical significance. [Results] A total of 283 patients (chemotherapy: n = 228, best supportive care: n = 55) were enrolled in the study. On multivariate analysis, regimen including platinum plus pemetrexed, a performance status >0, non-epithelial histological type and Stage IV disease predicted poor overall survival in chemotherapy patients. As hazard ratios of individual risk factors were approximately similar, a prognostic index for overall survival was constructed by counting the risk factors. Median overall survival in chemotherapy patients decreased by each one-point increase in this count: 1030 days for zero; 658 days for one; 373 days for two; 327 days for three; 125 days for four. Internal validation using the bootstrapping technique showed robustness of the model (c-index, 0.677; 95% confidence interval, 0.624–0.729). Further, the discrimination was consistent in best supportive care patients (c-index, 0.799; 95% confidence interval, 0.725–0.874). [Conclusions] This novel index can provide clinicians and malignant pleural mesothelioma patients with a better framework for discussing prognosis at the time of diagnosis

Phase Ib/II study of nivolumab combined with palliative radiation therapy for bone metastasis in patients with HER2-negative metastatic breast cancer

Radiation therapy (RT) can enhance the abscopal effect of immune checkpoint blockade. This phase I/II study investigated the efficacy and safety of nivolumab plus RT in HER2-negative metastatic breast cancer requiring palliative RT for bone metastases. Cohort A included luminal-like disease, and cohort B included both luminal-like and triple-negative disease refractory to standard systemic therapy. Patients received 8 Gy single fraction RT for bone metastasis on day 0. Nivolumab was administered on day 1 for each 14-day cycle. In cohort A, endocrine therapy was administered. The primary endpoint was the objective response rate (ORR) of the unirradiated lesions. Cohorts A and B consisted of 18 and 10 patients, respectively. The ORR was 11% (90% CI 4–29%) in cohort A and 0% in cohort B. Disease control rates were 39% (90% CI 23–58%) and 0%. Median progression-free survival was 4.1 months (95% CI 2.1–6.1 months) and 2.0 months (95% CI 1.2–3.7 months). One patient in cohort B experienced a grade 3 adverse event. Palliative RT combined with nivolumab was safe and showed modest anti-tumor activity in cohort A. Further investigations to enhance the anti-tumor effect of endocrine therapy combined with RT plus immune checkpoint blockade are warranted